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

C23H19BrFN7O — CID 139487755

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

N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487755) has the molecular formula C23H19BrFN7O and a molecular weight of 508.36 g/mol. Its IUPAC name is N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139487755
• Molecular Formula: C23H19BrFN7O
• Molecular Weight: 508.36 g/mol
• Exact Mass: 507.08
• IUPAC Name: N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2cc(F)c(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C23H19BrFN7O/c24-18-5-21-20(27-13-31(21)12-19(18)25)7-26-23(33)16-6-28-32(9-16)11-17-10-30-8-15(14-1-2-14)3-4-22(30)29-17/h3-6,8-10,12-14H,1-2,7,11H2,(H,26,33)
• InChIKey: ZOWYDVQPULYRSX-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 81.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.36
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487755) is N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2cc(F)c(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.

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

The InChIKey is ZOWYDVQPULYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN7O/c24-18-5-21-20(27-13-31(21)12-19(18)25)7-26-23(33)16-6-28-32(9-16)11-17-10-30-8-15(14-1-2-14)3-4-22(30)29-17/h3-6,8-10,12-14H,1-2,7,11H2,(H,26,33).

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

N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 508.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromo-6-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).