4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid

C27H23Cl2N3O4 — CID 24812410

About 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid

4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid (PubChem CID 24812410) has the molecular formula C27H23Cl2N3O4 and a molecular weight of 524.40 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid.

Molecular Properties

• Compound Name: 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
• PubChem CID: 24812410
• Molecular Formula: C27H23Cl2N3O4
• Molecular Weight: 524.40 g/mol
• Exact Mass: 523.11
• IUPAC Name: 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
• SMILES: COc1cccc(-c2nc(C3CCCN(C(=O)c4cc(Cl)c(Cl)cc4C(=O)O)C3)n3ccccc23)c1
• InChI: InChI=1S/C27H23Cl2N3O4/c1-36-18-8-4-6-16(12-18)24-23-9-2-3-11-32(23)25(30-24)17-7-5-10-31(15-17)26(33)19-13-21(28)22(29)14-20(19)27(34)35/h2-4,6,8-9,11-14,17H,5,7,10,15H2,1H3,(H,34,35)
• InChIKey: UOURXTWDKCKADT-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.40
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?

The IUPAC name of 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid (CID 24812410) is 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid.

What is the SMILES notation for 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?

The canonical SMILES for 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid is COc1cccc(-c2nc(C3CCCN(C(=O)c4cc(Cl)c(Cl)cc4C(=O)O)C3)n3ccccc23)c1.

What is the InChIKey of 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?

The InChIKey is UOURXTWDKCKADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O4/c1-36-18-8-4-6-16(12-18)24-23-9-2-3-11-32(23)25(30-24)17-7-5-10-31(15-17)26(33)19-13-21(28)22(29)14-20(19)27(34)35/h2-4,6,8-9,11-14,17H,5,7,10,15H2,1H3,(H,34,35).

What are the key properties of 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?

4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid has a molecular weight of 524.40 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 24812410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).