7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C31H25BrClFN6O3 — CID 155285710

About 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285710) has the molecular formula C31H25BrClFN6O3 and a molecular weight of 663.94 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285710
• Molecular Formula: C31H25BrClFN6O3
• Molecular Weight: 663.94 g/mol
• Exact Mass: 662.08
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(-n3cccn3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccccc1F
• InChI: InChI=1S/C31H25BrClFN6O3/c1-19(23-5-2-3-6-26(23)34)36-29(41)28-27-18-37(30(42)20-7-12-24(32)25(33)17-20)15-16-38(27)31(43)40(28)22-10-8-21(9-11-22)39-14-4-13-35-39/h2-14,17,19H,15-16,18H2,1H3,(H,36,41)/t19-/m1/s1
• InChIKey: HLERHHNHKLMHFS-LJQANCHMSA-N
• XLogP: 5.53
• TPSA: 94.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.94
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285710) is 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(-n3cccn3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccccc1F.

What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is HLERHHNHKLMHFS-LJQANCHMSA-N. The full InChI is InChI=1S/C31H25BrClFN6O3/c1-19(23-5-2-3-6-26(23)34)36-29(41)28-27-18-37(30(42)20-7-12-24(32)25(33)17-20)15-16-38(27)31(43)40(28)22-10-8-21(9-11-22)39-14-4-13-35-39/h2-14,17,19H,15-16,18H2,1H3,(H,36,41)/t19-/m1/s1.

What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 663.94 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).