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

C36H27BrF6N8O3 — CID 167027489

About (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167027489) 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-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 167027489
• 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-2-ylphenyl)methyl]-2-[1-(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-c3ncccn3)n(-c3ccc4c(cnn4CC(F)(F)F)c3)c2=O)CN1C(=O)c1ccc(Br)c(C(F)(F)F)c1
• InChI: InChI=1S/C36H27BrF6N8O3/c1-20-17-49-29(18-48(20)33(53)21-7-9-27(37)26(14-21)36(41,42)43)30(32(52)46-15-22-5-2-3-6-25(22)31-44-11-4-12-45-31)51(34(49)54)24-8-10-28-23(13-24)16-47-50(28)19-35(38,39)40/h2-14,16,20H,15,17-19H2,1H3,(H,46,52)/t20-/m1/s1
• InChIKey: IXJDOGGTXZKXOO-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-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 167027489) is (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(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-c3ncccn3)n(-c3ccc4c(cnn4CC(F)(F)F)c3)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-2-ylphenyl)methyl]-2-[1-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

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

What are the key properties of (6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(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-2-ylphenyl)methyl]-2-[1-(2,2,2-trifluoroethyl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167027489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).