4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid

C21H11Cl2FN2O3 — CID 122529829

IUPAC4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)c(F)c1
InChIInChI=1S/C21H11Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h1-10H,(H,28,29)
InChIKeyZDQDIGWUQZEPKQ-UHFFFAOYSA-N
MW429.23 g/mol
LogP5.38
Rot. Bonds4

About 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid

4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid (PubChem CID 122529829) has the molecular formula C21H11Cl2FN2O3 and a molecular weight of 429.23 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
PubChem CID122529829
Molecular FormulaC21H11Cl2FN2O3
Molecular Weight429.23 g/mol
Exact Mass428.01
IUPAC Name4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)c(F)c1
InChIInChI=1S/C21H11Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h1-10H,(H,28,29)
InChIKeyZDQDIGWUQZEPKQ-UHFFFAOYSA-N
XLogP5.38
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic 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-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid (CID 122529829) is 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)c(F)c1.
What is the InChIKey of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid?
The InChIKey is ZDQDIGWUQZEPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h1-10H,(H,28,29).
What are the key properties of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid?
4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid has a molecular weight of 429.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 122529829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).