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

C32H25BrClF3N6O4 — CID 155285729

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

7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285729) has the molecular formula C32H25BrClF3N6O4 and a molecular weight of 729.94 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285729
• Molecular Formula: C32H25BrClF3N6O4
• Molecular Weight: 729.94 g/mol
• Exact Mass: 728.08
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccc(-n2ccnc2)cc1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C32H25BrClF3N6O4/c33-25-10-3-21(15-26(25)34)30(45)40-13-14-42-27(17-40)28(29(44)39-16-20-1-4-22(5-2-20)41-12-11-38-19-41)43(31(42)46)23-6-8-24(9-7-23)47-18-32(35,36)37/h1-12,15,19H,13-14,16-18H2,(H,39,44)
• InChIKey: IZOIPFQJRNWDMP-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 103.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.94
LogP ≤ 5	5.77
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-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285729) is 7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

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

The InChIKey is IZOIPFQJRNWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BrClF3N6O4/c33-25-10-3-21(15-26(25)34)30(45)40-13-14-42-27(17-40)28(29(44)39-16-20-1-4-22(5-2-20)41-12-11-38-19-41)43(31(42)46)23-6-8-24(9-7-23)47-18-32(35,36)37/h1-12,15,19H,13-14,16-18H2,(H,39,44).

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

7-(4-bromo-3-chlorobenzoyl)-N-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 729.94 g/mol, XLogP of 5.77, 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-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).