7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C33H30BrClN4O6 — CID 155285667

About 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285667) has the molecular formula C33H30BrClN4O6 and a molecular weight of 693.98 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285667
• Molecular Formula: C33H30BrClN4O6
• Molecular Weight: 693.98 g/mol
• Exact Mass: 692.10
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1cc2occc2cc1CNC(=O)c1c2n(c(=O)n1-c1ccc(OC(C)C)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C33H30BrClN4O6/c1-19(2)45-24-7-5-23(6-8-24)39-30(31(40)36-17-22-14-20-10-13-44-29(20)16-28(22)43-3)27-18-37(11-12-38(27)33(39)42)32(41)21-4-9-25(34)26(35)15-21/h4-10,13-16,19H,11-12,17-18H2,1-3H3,(H,36,40)
• InChIKey: AIPVXIDKMZYMRK-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 107.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.98
LogP ≤ 5	6.18
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-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285667) is 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1cc2occc2cc1CNC(=O)c1c2n(c(=O)n1-c1ccc(OC(C)C)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is AIPVXIDKMZYMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30BrClN4O6/c1-19(2)45-24-7-5-23(6-8-24)39-30(31(40)36-17-22-14-20-10-13-44-29(20)16-28(22)43-3)27-18-37(11-12-38(27)33(39)42)32(41)21-4-9-25(34)26(35)15-21/h4-10,13-16,19H,11-12,17-18H2,1-3H3,(H,36,40).

What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

7-(4-bromo-3-chlorobenzoyl)-N-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 693.98 g/mol, XLogP of 6.18, 8 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-[(6-methoxy-1-benzofuran-5-yl)methyl]-3-oxo-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).