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

C21H17BrFN9O — CID 139488383

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

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139488383) has the molecular formula C21H17BrFN9O and a molecular weight of 510.33 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139488383
• Molecular Formula: C21H17BrFN9O
• Molecular Weight: 510.33 g/mol
• Exact Mass: 509.07
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C21H17BrFN9O/c22-14-5-6-30-11-25-16(20(30)19(14)23)7-24-21(33)17-10-31(29-27-17)8-13-9-32-18(26-13)4-3-15(28-32)12-1-2-12/h3-6,9-12H,1-2,7-8H2,(H,24,33)
• InChIKey: FADJUVSQXUOJOW-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 107.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.33
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide (CID 139488383) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide.

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

The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)nn1.

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

The InChIKey is FADJUVSQXUOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN9O/c22-14-5-6-30-11-25-16(20(30)19(14)23)7-24-21(33)17-10-31(29-27-17)8-13-9-32-18(26-13)4-3-15(28-32)12-1-2-12/h3-6,9-12H,1-2,7-8H2,(H,24,33).

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

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 510.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).