2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid

C24H19ClFN7O3 — CID 139487810

About 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid

2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid (PubChem CID 139487810) has the molecular formula C24H19ClFN7O3 and a molecular weight of 507.91 g/mol. Its IUPAC name is 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid
• PubChem CID: 139487810
• Molecular Formula: C24H19ClFN7O3
• Molecular Weight: 507.91 g/mol
• Exact Mass: 507.12
• IUPAC Name: 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3cc(C4CC4)ccc3c2C(=O)O)nn1
• InChI: InChI=1S/C24H19ClFN7O3/c25-15-5-6-32-11-28-17(22(32)21(15)26)8-27-23(34)19-10-33(31-30-19)9-18-20(24(35)36)14-4-3-13(12-1-2-12)7-16(14)29-18/h3-7,10-12,29H,1-2,8-9H2,(H,27,34)(H,35,36)
• InChIKey: SRZVOUXOYHHDQR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 130.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.91
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid?

The IUPAC name of 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid (CID 139487810) is 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid.

What is the SMILES notation for 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid?

The canonical SMILES for 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3cc(C4CC4)ccc3c2C(=O)O)nn1.

What is the InChIKey of 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid?

The InChIKey is SRZVOUXOYHHDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN7O3/c25-15-5-6-32-11-28-17(22(32)21(15)26)8-27-23(34)19-10-33(31-30-19)9-18-20(24(35)36)14-4-3-13(12-1-2-12)7-16(14)29-18/h3-7,10-12,29H,1-2,8-9H2,(H,27,34)(H,35,36).

What are the key properties of 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid?

2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid has a molecular weight of 507.91 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 139487810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).