N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C27H21BrCl2N4O3 — CID 155285434

About N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285434) has the molecular formula C27H21BrCl2N4O3 and a molecular weight of 600.30 g/mol. Its IUPAC name is N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285434
• Molecular Formula: C27H21BrCl2N4O3
• Molecular Weight: 600.30 g/mol
• Exact Mass: 598.02
• IUPAC Name: N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccccc1)c1c2n(c(=O)n1-c1cccc(Cl)c1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C27H21BrCl2N4O3/c28-21-10-9-18(13-22(21)30)26(36)32-11-12-33-23(16-32)24(25(35)31-15-17-5-2-1-3-6-17)34(27(33)37)20-8-4-7-19(29)14-20/h1-10,13-14H,11-12,15-16H2,(H,31,35)
• InChIKey: OREBMRULQRWSDM-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 76.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.30
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285434) is N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1)c1c2n(c(=O)n1-c1cccc(Cl)c1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

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

The InChIKey is OREBMRULQRWSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrCl2N4O3/c28-21-10-9-18(13-22(21)30)26(36)32-11-12-33-23(16-32)24(25(35)31-15-17-5-2-1-3-6-17)34(27(33)37)20-8-4-7-19(29)14-20/h1-10,13-14H,11-12,15-16H2,(H,31,35).

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

N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 600.30 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).