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

C26H25ClFN9O2 — CID 139488033

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[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-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139488033) has the molecular formula C26H25ClFN9O2 and a molecular weight of 550.00 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[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-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139488033
• Molecular Formula: C26H25ClFN9O2
• Molecular Weight: 550.00 g/mol
• Exact Mass: 549.18
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1
• InChI: InChI=1S/C26H25ClFN9O2/c27-19-3-4-35-15-30-20(24(35)23(19)28)10-29-26(38)21-14-37(33-32-21)13-18-12-36-11-17(16-1-2-16)9-22(25(36)31-18)34-5-7-39-8-6-34/h3-4,9,11-12,14-16H,1-2,5-8,10,13H2,(H,29,38)
• InChIKey: AMKWJBVJHRSEMN-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 106.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.00
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[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-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 139488033) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[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-8-morpholin-4-ylimidazo[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-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.

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

The InChIKey is AMKWJBVJHRSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN9O2/c27-19-3-4-35-15-30-20(24(35)23(19)28)10-29-26(38)21-14-37(33-32-21)13-18-12-36-11-17(16-1-2-16)9-22(25(36)31-18)34-5-7-39-8-6-34/h3-4,9,11-12,14-16H,1-2,5-8,10,13H2,(H,29,38).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[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-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 550.00 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).