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

C23H19BrFN7O — CID 139487357

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

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487357) has the molecular formula C23H19BrFN7O and a molecular weight of 508.36 g/mol. Its IUPAC name is N-[(7-bromo-8-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-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139487357
• Molecular Formula: C23H19BrFN7O
• Molecular Weight: 508.36 g/mol
• Exact Mass: 507.08
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C23H19BrFN7O/c24-18-5-6-30-13-27-19(22(30)21(18)25)8-26-23(33)16-7-28-32(10-16)12-17-11-31-9-15(14-1-2-14)3-4-20(31)29-17/h3-7,9-11,13-14H,1-2,8,12H2,(H,26,33)
• InChIKey: QAQHWZZEPDKRQP-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-8-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-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487357) is N-[(7-bromo-8-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-8-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-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.

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

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

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

N-[(7-bromo-8-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-8-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 139487357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).