Pipemidic acid

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Pipemidic acid are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Pipemidic acid?

The molecule Pipemidic acid presents a molecular formula of C14H17N5O3 and its IUPAC name is 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Pipemidic acid is a molecule with the chemical formula C8H11NO2. It is a white solid that is soluble in water and organic solvents. It is used as an antifungal drug..

3D structure

Cartesian coordinates

Geometry of Pipemidic acid in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Pipemidic acid JOHZPMXAZQZXHR-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Pipemidic acid

 

Molecule descriptors

 
IUPAC name8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
InChI codeInChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
InChI KeyJOHZPMXAZQZXHR-UHFFFAOYSA-N
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • 1489 RB
  • 2-(1-piperazinyl)-5,8-dihydro-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 2-(1-piperazinyl)-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 5,8-Dihydro-8-ethyl-2-(1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid
  • 5,8-Dihydro-8-ethyl-5-oxo-2-(1-piperazinyl)pyrido(2,3-d)pyrimidine-6-carboxylic acid
  • 5,8-dihydro-8-ethyl-2-(1-piperazinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 51940-44-4
  • 7-(1-Piperazinyl)-1-ethyl-4-oxo-1,4-dihydro-6,8-diazaquinoline-3-carboxylic acid
  • 8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido(2,3-d)pyrimidine-6-carboxylic acid
  • 8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylicacidtrihydrate
  • 8-ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 8-ethyl-5-oxo-2-(piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 8-ethyl-5-oxo-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
  • 8-ethyl-5-oxo-2-piperazinyl-8-hydropyridino[2,3-d]pyrimidine-6-carboxylic acid
  • A828860
  • AB00052258_14
  • AB00490004
  • AS-47690
  • Acide ethyl-8 oxo-5 piperazinyl-2 dihydro-5,8 pyrido(2,3-d)pyrimidine-6 carboxylique
  • Acide pipemidique
  • Acido pipemidico
  • Acidum pipemidicum
  • BCP13633
  • BIDD:GT0126
  • BPBio1_000786
  • BRN 0626575
  • BSPBio_000714
  • BSPBio_003073
  • CCG-220897
  • CCRIS 8517
  • CS-4838
  • D08379
  • DB13823
  • DSSTox_CID_3479
  • DSSTox_GSID_23479
  • DSSTox_RID_77045
  • Deblaston
  • Deblaston; Pipram; Uromidin; RB 1489; RB-1489; RB1489
  • DivK1c_000651
  • Dolcol
  • F15437
  • Filtrax
  • HMS1570D16
  • HMS1921F04
  • HMS2097D16
  • HMS3714D16
  • HMS502A13
  • HY-B1210
  • IDI1_000651
  • KBio1_000651
  • KBio2_001867
  • KBio2_004435
  • KBio2_007003
  • KBio3_002573
  • KBioGR_000630
  • KBioSS_001867
  • LT12J5HVR8
  • MLS000028608
  • Memento 400
  • NCGC00016866-01
  • NCGC00016866-02
  • NCGC00016866-03
  • NCGC00016866-04
  • NCGC00016866-05
  • NCGC00016866-06
  • NCGC00016866-07
  • NCGC00016866-08
  • NCGC00016866-11
  • NCGC00023999-03
  • NCGC00023999-04
  • NCGC00178314-01
  • NCGC00178314-02
  • NINDS_000651
  • NSC 758160
  • NSC-758160
  • NSC758160
  • Nuril
  • Opera_ID_1142
  • P-6835
  • PIPEMIDIC ACID ANHYDROUS
  • Palin
  • Pharmakon1600-01502024
  • Pi-coli
  • Pipedac
  • Pipemid
  • Pipemidate
  • Pipemidic
  • Pipemidic Acid,(S)
  • Pipemidic acid
  • Pipemidic acid (INN)
  • Pipemidic acid hydrate
  • Pipemidic acid, Antibiotic for Culture Media Use Only
  • Pipemidicacid
  • Pipram
  • Pipurin
  • Prestwick0_000897
  • Prestwick1_000897
  • Prestwick2_000897
  • Prestwick3_000897
  • Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 5,8-dihydro-8-ethyl-5-oxo-2-(1-piperazinyl)-
  • Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)-
  • Pyrido[2,3-d]pyrimidine-6-carboxylicacid, 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)-
  • Q754986
  • RB 1489
  • SBI-0051703.P002
  • SMP1_000242
  • SMR000058711
  • SPECTRUM1502024
  • SR-01000000245
  • SR-01000000245-2
  • SR-01000000245-3
  • SR-01000000245-4
  • STK686262
  • Tractur
  • Uromidin
  • Urosten
  • Uroval
  • pipeacid
  • pipemidic acid
  • pipemidic-acid
  • s5051
  • uropimid

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC57466
  • CAS-51940-44-4
  • UNII-LT12J5HVR8
  • AKOS005599752
  • BRD-K08999871-001-05-5
  • BRD-K08999871-001-13-9
  • DTXSID3023479
  • CHEMBL30116
  • CHEBI:75250
  • Tox21_110655
  • Tox21_110655_1
  • EINECS 257-530-2
  • SPBio_001229
  • SPBio_002923
  • SCHEMBL135557
  • Spectrum_001387
  • Spectrum2_001185
  • Spectrum3_001487
  • Spectrum4_000155
  • Spectrum5_001214

Physico-Chemical properties

IUPAC name8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
Molecular formulaC14H17N5O3
Molecular weight303.316
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity88.19
LogP0.3
Topological polar surface area100.4

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.