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

C31H25BrClFN6O4 — CID 155285330

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

7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285330) has the molecular formula C31H25BrClFN6O4 and a molecular weight of 679.93 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-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-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285330
• Molecular Formula: C31H25BrClFN6O4
• Molecular Weight: 679.93 g/mol
• Exact Mass: 678.08
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(-n4cccn4)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(F)c1
• InChI: InChI=1S/C31H25BrClFN6O4/c1-44-23-9-3-20(26(34)16-23)17-35-29(41)28-27-18-37(30(42)19-4-10-24(32)25(33)15-19)13-14-38(27)31(43)40(28)22-7-5-21(6-8-22)39-12-2-11-36-39/h2-12,15-16H,13-14,17-18H2,1H3,(H,35,41)
• InChIKey: ANAPEPRNIATYOI-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 103.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.93
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-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-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285330) is 7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-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-[(2-fluoro-4-methoxyphenyl)methyl]-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-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(-n4cccn4)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(F)c1.

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

The InChIKey is ANAPEPRNIATYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25BrClFN6O4/c1-44-23-9-3-20(26(34)16-23)17-35-29(41)28-27-18-37(30(42)19-4-10-24(32)25(33)15-19)13-14-38(27)31(43)40(28)22-7-5-21(6-8-22)39-12-2-11-36-39/h2-12,15-16H,13-14,17-18H2,1H3,(H,35,41).

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

7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 679.93 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).