1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide

C22H17BrClFN8O — CID 139487834

About 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide

1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide (PubChem CID 139487834) has the molecular formula C22H17BrClFN8O and a molecular weight of 543.79 g/mol. Its IUPAC name is 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139487834
• Molecular Formula: C22H17BrClFN8O
• Molecular Weight: 543.79 g/mol
• Exact Mass: 542.04
• IUPAC Name: 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1
• InChI: InChI=1S/C22H17BrClFN8O/c23-15-5-13(12-1-2-12)7-32-8-14(28-21(15)32)9-33-10-18(29-30-33)22(34)26-6-17-20-19(25)16(24)3-4-31(20)11-27-17/h3-5,7-8,10-12H,1-2,6,9H2,(H,26,34)
• InChIKey: PXNXGIUGOSFDHR-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 94.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.79
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?

The IUPAC name of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide (CID 139487834) is 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide.

What is the SMILES notation for 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?

The canonical SMILES for 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.

What is the InChIKey of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?

The InChIKey is PXNXGIUGOSFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClFN8O/c23-15-5-13(12-1-2-12)7-32-8-14(28-21(15)32)9-33-10-18(29-30-33)22(34)26-6-17-20-19(25)16(24)3-4-31(20)11-27-17/h3-5,7-8,10-12H,1-2,6,9H2,(H,26,34).

What are the key properties of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?

1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide has a molecular weight of 543.79 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).