(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C37H34BrF3N6O5 — CID 165079318

About (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165079318) has the molecular formula C37H34BrF3N6O5 and a molecular weight of 779.61 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165079318
• Molecular Formula: C37H34BrF3N6O5
• Molecular Weight: 779.61 g/mol
• Exact Mass: 778.17
• IUPAC Name: (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OC[C@@](C)(O)C(F)(F)F)cc4)c(=O)n3C[C@@H]2C)ccc1Br
• InChI: InChI=1S/C37H34BrF3N6O5/c1-22-16-24(8-13-29(22)38)34(49)45-19-31-32(33(48)43-17-25-6-4-5-7-28(25)30-14-15-42-21-44-30)47(35(50)46(31)18-23(45)2)26-9-11-27(12-10-26)52-20-36(3,51)37(39,40)41/h4-16,21,23,51H,17-20H2,1-3H3,(H,43,48)/t23-,36+/m0/s1
• InChIKey: UVVPAUNDGJBZIS-RJVOLCHMSA-N
• XLogP: 5.83
• TPSA: 131.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.61
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165079318) is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OC[C@@](C)(O)C(F)(F)F)cc4)c(=O)n3C[C@@H]2C)ccc1Br.

What is the InChIKey of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is UVVPAUNDGJBZIS-RJVOLCHMSA-N. The full InChI is InChI=1S/C37H34BrF3N6O5/c1-22-16-24(8-13-29(22)38)34(49)45-19-31-32(33(48)43-17-25-6-4-5-7-28(25)30-14-15-42-21-44-30)47(35(50)46(31)18-23(45)2)26-9-11-27(12-10-26)52-20-36(3,51)37(39,40)41/h4-16,21,23,51H,17-20H2,1-3H3,(H,43,48)/t23-,36+/m0/s1.

What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 779.61 g/mol, XLogP of 5.83, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165079318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).