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

C23H19BrFN7O — CID 139488070

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

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139488070) has the molecular formula C23H19BrFN7O and a molecular weight of 508.36 g/mol. Its IUPAC name is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139488070
• Molecular Formula: C23H19BrFN7O
• Molecular Weight: 508.36 g/mol
• Exact Mass: 507.08
• IUPAC Name: N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)c(F)cc3n2)c1
• InChI: InChI=1S/C23H19BrFN7O/c24-16-3-4-30-13-27-20(21(30)5-16)8-26-23(33)15-7-28-32(9-15)11-17-10-31-12-18(14-1-2-14)19(25)6-22(31)29-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,26,33)
• InChIKey: VCUYOJBHLIHSGT-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-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139488070) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)c(F)cc3n2)c1.

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

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

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

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[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-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).