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

C22H17ClF2N8O — CID 139488013

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139488013) has the molecular formula C22H17ClF2N8O and a molecular weight of 482.88 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139488013
• Molecular Formula: C22H17ClF2N8O
• Molecular Weight: 482.88 g/mol
• Exact Mass: 482.12
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1
• InChI: InChI=1S/C22H17ClF2N8O/c23-15-3-4-31-11-27-17(21(31)20(15)25)6-26-22(34)18-10-33(30-29-18)8-13-7-32-9-14(12-1-2-12)16(24)5-19(32)28-13/h3-5,7,9-12H,1-2,6,8H2,(H,26,34)
• InChIKey: HRYGBZFKJOGIPQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 94.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.88
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 139488013) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.

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

The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1.

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

The InChIKey is HRYGBZFKJOGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N8O/c23-15-3-4-31-11-27-17(21(31)20(15)25)6-26-22(34)18-10-33(30-29-18)8-13-7-32-9-14(12-1-2-12)16(24)5-19(32)28-13/h3-5,7,9-12H,1-2,6,8H2,(H,26,34).

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 482.88 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).