4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

C24H17ClN2O3 — CID 122529831

IUPAC4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3ccccc23)cc1
InChIInChI=1S/C24H17ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9-14H,7-8H2,(H,29,30)
InChIKeyQLPYRJMIYCGJEV-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.46
Rot. Bonds5

About 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (PubChem CID 122529831) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
PubChem CID122529831
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC Name4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3ccccc23)cc1
InChIInChI=1S/C24H17ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9-14H,7-8H2,(H,29,30)
InChIKeyQLPYRJMIYCGJEV-UHFFFAOYSA-N
XLogP5.46
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The IUPAC name of 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (CID 122529831) is 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3ccccc23)cc1.
What is the InChIKey of 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The InChIKey is QLPYRJMIYCGJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9-14H,7-8H2,(H,29,30).
What are the key properties of 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid has a molecular weight of 416.86 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 122529831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).