(6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C32H26BrClF4N6O3 — CID 165046284

About (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165046284) has the molecular formula C32H26BrClF4N6O3 and a molecular weight of 733.95 g/mol. Its IUPAC name is (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165046284
• Molecular Formula: C32H26BrClF4N6O3
• Molecular Weight: 733.95 g/mol
• Exact Mass: 732.09
• IUPAC Name: (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CCn1ncc2cc(-n3c(C(=O)NCc4c(F)cccc4Cl)c4n(c3=O)C[C@H](C)N(C(=O)c3ccc(Br)c(C(F)(F)F)c3)C4)ccc21
• InChI: InChI=1S/C32H26BrClF4N6O3/c1-3-43-26-10-8-20(11-19(26)13-40-43)44-28(29(45)39-14-21-24(34)5-4-6-25(21)35)27-16-41(17(2)15-42(27)31(44)47)30(46)18-7-9-23(33)22(12-18)32(36,37)38/h4-13,17H,3,14-16H2,1-2H3,(H,39,45)/t17-/m0/s1
• InChIKey: WLVXHQUAIVIPIA-KRWDZBQOSA-N
• XLogP: 6.56
• TPSA: 94.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.95
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165046284) is (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-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-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CCn1ncc2cc(-n3c(C(=O)NCc4c(F)cccc4Cl)c4n(c3=O)C[C@H](C)N(C(=O)c3ccc(Br)c(C(F)(F)F)c3)C4)ccc21.

What is the InChIKey of (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is WLVXHQUAIVIPIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C32H26BrClF4N6O3/c1-3-43-26-10-8-20(11-19(26)13-40-43)44-28(29(45)39-14-21-24(34)5-4-6-25(21)35)27-16-41(17(2)15-42(27)31(44)47)30(46)18-7-9-23(33)22(12-18)32(36,37)38/h4-13,17H,3,14-16H2,1-2H3,(H,39,45)/t17-/m0/s1.

What are the key properties of (6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6S)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 733.95 g/mol, XLogP of 6.56, 6 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-(trifluoromethyl)benzoyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-ethylindazol-5-yl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165046284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).