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

C32H25BrClF3N6O4 — CID 155285789

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

7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285789) has the molecular formula C32H25BrClF3N6O4 and a molecular weight of 729.94 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-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)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285789
• Molecular Formula: C32H25BrClF3N6O4
• Molecular Weight: 729.94 g/mol
• Exact Mass: 728.08
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1cccc2nccnc12
• InChI: InChI=1S/C32H25BrClF3N6O4/c1-18(22-3-2-4-25-27(22)39-12-11-38-25)40-29(44)28-26-16-41(30(45)19-5-10-23(33)24(34)15-19)13-14-42(26)31(46)43(28)20-6-8-21(9-7-20)47-17-32(35,36)37/h2-12,15,18H,13-14,16-17H2,1H3,(H,40,44)/t18-/m0/s1
• InChIKey: VYPMXJOFWXUULX-SFHVURJKSA-N
• XLogP: 6.09
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.94
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-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)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285789) is 7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-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)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-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)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1cccc2nccnc12.

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

The InChIKey is VYPMXJOFWXUULX-SFHVURJKSA-N. The full InChI is InChI=1S/C32H25BrClF3N6O4/c1-18(22-3-2-4-25-27(22)39-12-11-38-25)40-29(44)28-26-16-41(30(45)19-5-10-23(33)24(34)15-19)13-14-42(26)31(46)43(28)20-6-8-21(9-7-20)47-17-32(35,36)37/h2-12,15,18H,13-14,16-17H2,1H3,(H,40,44)/t18-/m0/s1.

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

7-(4-bromo-3-chlorobenzoyl)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-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 6.09, 7 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)-3-oxo-N-[(1S)-1-quinoxalin-5-ylethyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).