(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C36H27BrF6N8O3 — CID 167027541

About (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167027541) has the molecular formula C36H27BrF6N8O3 and a molecular weight of 813.56 g/mol. Its IUPAC name is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 167027541
• Molecular Formula: C36H27BrF6N8O3
• Molecular Weight: 813.56 g/mol
• Exact Mass: 812.13
• IUPAC Name: (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc4nn(CC(F)(F)F)cc4c3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1
• InChI: InChI=1S/C36H27BrF6N8O3/c1-20-15-50-30(17-49(20)33(53)21-6-8-27(37)26(13-21)36(41,42)43)31(32(52)45-14-22-4-2-3-5-25(22)29-10-11-44-19-46-29)51(34(50)54)24-7-9-28-23(12-24)16-48(47-28)18-35(38,39)40/h2-13,16,19-20H,14-15,17-18H2,1H3,(H,45,52)/t20-/m1/s1
• InChIKey: MSDBRGDRJUMQDC-HXUWFJFHSA-N
• XLogP: 6.76
• TPSA: 119.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.56
LogP ≤ 5	6.76
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]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 167027541) is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc4nn(CC(F)(F)F)cc4c3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1.

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

The InChIKey is MSDBRGDRJUMQDC-HXUWFJFHSA-N. The full InChI is InChI=1S/C36H27BrF6N8O3/c1-20-15-50-30(17-49(20)33(53)21-6-8-27(37)26(13-21)36(41,42)43)31(32(52)45-14-22-4-2-3-5-25(22)29-10-11-44-19-46-29)51(34(50)54)24-7-9-28-23(12-24)16-48(47-28)18-35(38,39)40/h2-13,16,19-20H,14-15,17-18H2,1H3,(H,45,52)/t20-/m1/s1.

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

(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 813.56 g/mol, XLogP of 6.76, 7 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]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167027541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).