4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

C29H20ClF2N3O3 — CID 176773285

IUPAC4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cc3cnc(Cc4cccc(Cl)c4)n23)cc1
InChIInChI=1S/C29H20ClF2N3O3/c30-22-3-1-2-18(8-22)9-27-33-16-25-12-21(20-10-23(31)14-24(32)11-20)13-26(35(25)27)28(36)34-15-17-4-6-19(7-5-17)29(37)38/h1-8,10-14,16H,9,15H2,(H,34,36)(H,37,38)
InChIKeyKBFQFFNKJTZVNI-UHFFFAOYSA-N
MW531.95 g/mol
LogP6.15
Rot. Bonds7

About 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (PubChem CID 176773285) has the molecular formula C29H20ClF2N3O3 and a molecular weight of 531.95 g/mol. Its IUPAC name is 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
PubChem CID176773285
Molecular FormulaC29H20ClF2N3O3
Molecular Weight531.95 g/mol
Exact Mass531.12
IUPAC Name4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cc3cnc(Cc4cccc(Cl)c4)n23)cc1
InChIInChI=1S/C29H20ClF2N3O3/c30-22-3-1-2-18(8-22)9-27-33-16-25-12-21(20-10-23(31)14-24(32)11-20)13-26(35(25)27)28(36)34-15-17-4-6-19(7-5-17)29(37)38/h1-8,10-14,16H,9,15H2,(H,34,36)(H,37,38)
InChIKeyKBFQFFNKJTZVNI-UHFFFAOYSA-N
XLogP6.15
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.95
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic 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

4-[[[3-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)benzotriazole-4-carbonyl]amino]methyl]benzoic acid
CID 176771640
4-[(1S)-1-[[7-(3-fluorophenyl)-3-(naphthalen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]ethyl]benzoic acid
CID 176773161
4-[[[1-[(3-chlorophenyl)methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772981
4-[(1S)-1-[[7-phenyl-3-(quinolin-7-ylmethyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]ethyl]benzoic acid
CID 176772475
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
4-[[[3-(6-fluoronaphthalene-2-carbonyl)-7-phenyl-[1,2,4]triazolo[4,3-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
CID 176772736
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
CID 169411976
5-chloro-3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117141951
4-[[[1-[(7-fluoronaphthalen-2-yl)methyl]-5-(3-fluorophenyl)indazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772308
4-[[[1-[(3-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]indole-7-carbonyl]amino]methyl]benzoic acid
CID 176773014

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (CID 176773285) is 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cc3cnc(Cc4cccc(Cl)c4)n23)cc1.
What is the InChIKey of 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The InChIKey is KBFQFFNKJTZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF2N3O3/c30-22-3-1-2-18(8-22)9-27-33-16-25-12-21(20-10-23(31)14-24(32)11-20)13-26(35(25)27)28(36)34-15-17-4-6-19(7-5-17)29(37)38/h1-8,10-14,16H,9,15H2,(H,34,36)(H,37,38).
What are the key properties of 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid has a molecular weight of 531.95 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[(3-chlorophenyl)methyl]-7-(3,5-difluorophenyl)imidazo[1,5-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 176773285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).