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

C22H18ClFN8O — CID 139487409

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487409) has the molecular formula C22H18ClFN8O and a molecular weight of 464.89 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-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-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139487409
• Molecular Formula: C22H18ClFN8O
• Molecular Weight: 464.89 g/mol
• Exact Mass: 464.13
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1
• InChI: InChI=1S/C22H18ClFN8O/c23-17-4-5-30-12-26-18(21(30)20(17)24)9-25-22(33)19-11-31(29-27-19)10-15-8-16-7-14(13-1-2-13)3-6-32(16)28-15/h3-8,11-13H,1-2,9-10H2,(H,25,33)
• InChIKey: QECKLGRMLYZYDC-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 94.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.89
LogP ≤ 5	3.22
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-[(5-cyclopropylpyrazolo[1,5-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-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 139487409) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-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-[(5-cyclopropylpyrazolo[1,5-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-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.

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

The InChIKey is QECKLGRMLYZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN8O/c23-17-4-5-30-12-26-18(21(30)20(17)24)9-25-22(33)19-11-31(29-27-19)10-15-8-16-7-14(13-1-2-13)3-6-32(16)28-15/h3-8,11-13H,1-2,9-10H2,(H,25,33).

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 464.89 g/mol, XLogP of 3.22, 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-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).