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

C31H24BrClF4N4O5 — CID 155302634

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

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155302634) has the molecular formula C31H24BrClF4N4O5 and a molecular weight of 723.91 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155302634
• Molecular Formula: C31H24BrClF4N4O5
• Molecular Weight: 723.91 g/mol
• Exact Mass: 722.06
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccc(OC(F)(F)F)cc1F)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C31H24BrClF4N4O5/c32-23-10-2-17(13-24(23)33)29(43)39-11-12-40-26(16-39)27(41(30(40)44)19-3-6-20(7-4-19)45-21-8-9-21)28(42)38-15-18-1-5-22(14-25(18)34)46-31(35,36)37/h1-7,10,13-14,21H,8-9,11-12,15-16H2,(H,38,42)
• InChIKey: HAMWTMJVXHNNPL-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 94.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.91
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155302634) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1F)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

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

The InChIKey is HAMWTMJVXHNNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24BrClF4N4O5/c32-23-10-2-17(13-24(23)33)29(43)39-11-12-40-26(16-39)27(41(30(40)44)19-3-6-20(7-4-19)45-21-8-9-21)28(42)38-15-18-1-5-22(14-25(18)34)46-31(35,36)37/h1-7,10,13-14,21H,8-9,11-12,15-16H2,(H,38,42).

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

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 723.91 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155302634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).