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

C36H32BrF3N6O5 — CID 164982224

About (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164982224) has the molecular formula C36H32BrF3N6O5 and a molecular weight of 765.59 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164982224
• Molecular Formula: C36H32BrF3N6O5
• Molecular Weight: 765.59 g/mol
• Exact Mass: 764.16
• IUPAC Name: (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@H](O)C(F)(F)F)cc4)c(=O)n3C[C@@H]2C)ccc1Br
• InChI: InChI=1S/C36H32BrF3N6O5/c1-21-16-23(8-13-28(21)37)34(49)44-19-29-31(33(48)43-17-24-6-3-4-7-27(24)32-41-14-5-15-42-32)46(35(50)45(29)18-22(44)2)25-9-11-26(12-10-25)51-20-30(47)36(38,39)40/h3-16,22,30,47H,17-20H2,1-2H3,(H,43,48)/t22-,30-/m0/s1
• InChIKey: FQRQIHGAAJZQCE-CHJDUVSTSA-N
• XLogP: 5.44
• TPSA: 131.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.59
LogP ≤ 5	5.44
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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164982224) is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@H](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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is FQRQIHGAAJZQCE-CHJDUVSTSA-N. The full InChI is InChI=1S/C36H32BrF3N6O5/c1-21-16-23(8-13-28(21)37)34(49)44-19-29-31(33(48)43-17-24-6-3-4-7-27(24)32-41-14-5-15-42-32)46(35(50)45(29)18-22(44)2)25-9-11-26(12-10-25)51-20-30(47)36(38,39)40/h3-16,22,30,47H,17-20H2,1-2H3,(H,43,48)/t22-,30-/m0/s1.

What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 765.59 g/mol, XLogP of 5.44, 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-2-ylphenyl)methyl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164982224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).