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

C21H15ClFN11O — CID 155883685

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 155883685) has the molecular formula C21H15ClFN11O and a molecular weight of 491.88 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[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-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 155883685
• Molecular Formula: C21H15ClFN11O
• Molecular Weight: 491.88 g/mol
• Exact Mass: 491.11
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cccc(-n4cnnc4)c3n2)nn1
• InChI: InChI=1S/C21H15ClFN11O/c22-14-3-5-32-10-25-15(19(32)18(14)23)6-24-21(35)16-9-34(30-29-16)8-13-7-31-4-1-2-17(20(31)28-13)33-11-26-27-12-33/h1-5,7,9-12H,6,8H2,(H,24,35)
• InChIKey: KDHNRYZHFAOACS-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 125.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.88
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[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-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 155883685) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[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-[[8-(1,2,4-triazol-4-yl)imidazo[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-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cccc(-n4cnnc4)c3n2)nn1.

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

The InChIKey is KDHNRYZHFAOACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN11O/c22-14-3-5-32-10-25-15(19(32)18(14)23)6-24-21(35)16-9-34(30-29-16)8-13-7-31-4-1-2-17(20(31)28-13)33-11-26-27-12-33/h1-5,7,9-12H,6,8H2,(H,24,35).

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 491.88 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 11 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-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 155883685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).