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

C31H26BrClF2N4O4 — CID 155285610

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

N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285610) has the molecular formula C31H26BrClF2N4O4 and a molecular weight of 671.93 g/mol. Its IUPAC name is N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-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-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285610
• Molecular Formula: C31H26BrClF2N4O4
• Molecular Weight: 671.93 g/mol
• Exact Mass: 670.08
• IUPAC Name: N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccccc1)c1c2n(c(=O)n1-c1ccc(OC3CC(F)(F)C3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C31H26BrClF2N4O4/c32-24-11-6-20(14-25(24)33)29(41)37-12-13-38-26(18-37)27(28(40)36-17-19-4-2-1-3-5-19)39(30(38)42)21-7-9-22(10-8-21)43-23-15-31(34,35)16-23/h1-11,14,23H,12-13,15-18H2,(H,36,40)
• InChIKey: LIRSKHMQKZEWQS-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 85.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.93
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-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-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285610) is N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-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-[4-(3,3-difluorocyclobutyl)oxyphenyl]-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-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1)c1c2n(c(=O)n1-c1ccc(OC3CC(F)(F)C3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

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

The InChIKey is LIRSKHMQKZEWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrClF2N4O4/c32-24-11-6-20(14-25(24)33)29(41)37-12-13-38-26(18-37)27(28(40)36-17-19-4-2-1-3-5-19)39(30(38)42)21-7-9-22(10-8-21)43-23-15-31(34,35)16-23/h1-11,14,23H,12-13,15-18H2,(H,36,40).

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

N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 671.93 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).