(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C35H29BrF4N6O5 — CID 167027549

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

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167027549) has the molecular formula C35H29BrF4N6O5 and a molecular weight of 769.55 g/mol. Its IUPAC name is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 167027549
• Molecular Formula: C35H29BrF4N6O5
• Molecular Weight: 769.55 g/mol
• Exact Mass: 768.13
• IUPAC Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1nnc(-c2cccc(F)c2CNC(=O)c2c3n(c(=O)n2-c2ccc(OC4CC4)cc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C3)o1
• InChI: InChI=1S/C35H29BrF4N6O5/c1-18-16-45-29(17-44(18)33(48)20-6-13-27(36)26(14-20)35(38,39)40)30(46(34(45)49)21-7-9-22(10-8-21)51-23-11-12-23)31(47)41-15-25-24(4-3-5-28(25)37)32-43-42-19(2)50-32/h3-10,13-14,18,23H,11-12,15-17H2,1-2H3,(H,41,47)/t18-/m1/s1
• InChIKey: CVOBIANXVOHWRT-GOSISDBHSA-N
• XLogP: 6.43
• TPSA: 124.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.55
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 167027549) is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1nnc(-c2cccc(F)c2CNC(=O)c2c3n(c(=O)n2-c2ccc(OC4CC4)cc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C3)o1.

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

The InChIKey is CVOBIANXVOHWRT-GOSISDBHSA-N. The full InChI is InChI=1S/C35H29BrF4N6O5/c1-18-16-45-29(17-44(18)33(48)20-6-13-27(36)26(14-20)35(38,39)40)30(46(34(45)49)21-7-9-22(10-8-21)51-23-11-12-23)31(47)41-15-25-24(4-3-5-28(25)37)32-43-42-19(2)50-32/h3-10,13-14,18,23H,11-12,15-17H2,1-2H3,(H,41,47)/t18-/m1/s1.

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

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 769.55 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-(4-cyclopropyloxyphenyl)-N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167027549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).