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

C33H32BrClN4O5 — CID 155641087

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

(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155641087) has the molecular formula C33H32BrClN4O5 and a molecular weight of 680.00 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155641087
• Molecular Formula: C33H32BrClN4O5
• Molecular Weight: 680.00 g/mol
• Exact Mass: 678.12
• IUPAC Name: (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ccc([C@H](C)NC(=O)c2c3n(c(=O)n2-c2ccc(OC4CC4)cc2)C[C@H](C)N(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C33H32BrClN4O5/c1-19-17-38-29(18-37(19)32(41)22-6-15-27(34)28(35)16-22)30(31(40)36-20(2)21-4-9-24(43-3)10-5-21)39(33(38)42)23-7-11-25(12-8-23)44-26-13-14-26/h4-12,15-16,19-20,26H,13-14,17-18H2,1-3H3,(H,36,40)/t19-,20-/m0/s1
• InChIKey: BRPWBKCMYACCDK-PMACEKPBSA-N
• XLogP: 6.14
• TPSA: 94.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.00
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155641087) is (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc([C@H](C)NC(=O)c2c3n(c(=O)n2-c2ccc(OC4CC4)cc2)C[C@H](C)N(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.

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

The InChIKey is BRPWBKCMYACCDK-PMACEKPBSA-N. The full InChI is InChI=1S/C33H32BrClN4O5/c1-19-17-38-29(18-37(19)32(41)22-6-15-27(34)28(35)16-22)30(31(40)36-20(2)21-4-9-24(43-3)10-5-21)39(33(38)42)23-7-11-25(12-8-23)44-26-13-14-26/h4-12,15-16,19-20,26H,13-14,17-18H2,1-3H3,(H,36,40)/t19-,20-/m0/s1.

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

(6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 680.00 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155641087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).