2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid

C28H25N7O5 — CID 156762946

IUPAC2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1CN1CC[C@H](n2c(=O)n(-c3ccc(-c4ccc(C(=O)O)cc4)nc3)c3cnccc32)C1
InChIInChI=1S/C28H25N7O5/c1-32-24(27(38)39)14-31-25(32)16-33-11-9-20(15-33)35-22-8-10-29-13-23(22)34(28(35)40)19-6-7-21(30-12-19)17-2-4-18(5-3-17)26(36)37/h2-8,10,12-14,20H,9,11,15-16H2,1H3,(H,36,37)(H,38,39)/t20-/m0/s1
InChIKeyTVLVWLGHBRXSFG-FQEVSTJZSA-N
MW539.55 g/mol
LogP2.83
Rot. Bonds7

About 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid

2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid (PubChem CID 156762946) has the molecular formula C28H25N7O5 and a molecular weight of 539.55 g/mol. Its IUPAC name is 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid
PubChem CID156762946
Molecular FormulaC28H25N7O5
Molecular Weight539.55 g/mol
Exact Mass539.19
IUPAC Name2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1CN1CC[C@H](n2c(=O)n(-c3ccc(-c4ccc(C(=O)O)cc4)nc3)c3cnccc32)C1
InChIInChI=1S/C28H25N7O5/c1-32-24(27(38)39)14-31-25(32)16-33-11-9-20(15-33)35-22-8-10-29-13-23(22)34(28(35)40)19-6-7-21(30-12-19)17-2-4-18(5-3-17)26(36)37/h2-8,10,12-14,20H,9,11,15-16H2,1H3,(H,36,37)(H,38,39)/t20-/m0/s1
InChIKeyTVLVWLGHBRXSFG-FQEVSTJZSA-N
XLogP2.83
TPSA148.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zolpidem carboxylic acid
CID 11966044
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid
CID 10743377
Acalabrutinib Maleate
CID 126506029
2-Butyl-3-{4-[2-(2-carboxy-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-3H-imidazole-4-carboxylic acid
CID 15356436
2-Butyl-3-{4-[2-(2-carboxy-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-5-pyrrol-1-yl-3H-imidazole-4-carboxylic acid
CID 44293818
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid
CID 118723475
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 122178097
4-[6-[4-(4-Methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzoic acid
CID 145972396
2-Butyl-7-methyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 15224461
4-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525615
US10087188, Example 29
CID 121455807

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid (CID 156762946) is 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid is Cn1c(C(=O)O)cnc1CN1CC[C@H](n2c(=O)n(-c3ccc(-c4ccc(C(=O)O)cc4)nc3)c3cnccc32)C1.
What is the InChIKey of 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid?
The InChIKey is TVLVWLGHBRXSFG-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H25N7O5/c1-32-24(27(38)39)14-31-25(32)16-33-11-9-20(15-33)35-22-8-10-29-13-23(22)34(28(35)40)19-6-7-21(30-12-19)17-2-4-18(5-3-17)26(36)37/h2-8,10,12-14,20H,9,11,15-16H2,1H3,(H,36,37)(H,38,39)/t20-/m0/s1.
What are the key properties of 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid?
2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid has a molecular weight of 539.55 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 156762946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).