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

C37H33BrF3N5O5 — CID 164980262

About (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164980262) has the molecular formula C37H33BrF3N5O5 and a molecular weight of 764.60 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164980262
• Molecular Formula: C37H33BrF3N5O5
• Molecular Weight: 764.60 g/mol
• Exact Mass: 763.16
• IUPAC Name: (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-c4ccccn4)n(-c4ccc(OC[C@@H](O)C(F)(F)F)cc4)c(=O)n3C[C@@H]2C)ccc1Br
• InChI: InChI=1S/C37H33BrF3N5O5/c1-22-17-24(10-15-29(22)38)35(49)44-20-31-33(34(48)43-18-25-7-3-4-8-28(25)30-9-5-6-16-42-30)46(36(50)45(31)19-23(44)2)26-11-13-27(14-12-26)51-21-32(47)37(39,40)41/h3-17,23,32,47H,18-21H2,1-2H3,(H,43,48)/t23-,32+/m0/s1
• InChIKey: FJLLRSZYHDTGHL-JPQMRUPTSA-N
• XLogP: 6.05
• TPSA: 118.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.60
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164980262) is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-c4ccccn4)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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is FJLLRSZYHDTGHL-JPQMRUPTSA-N. The full InChI is InChI=1S/C37H33BrF3N5O5/c1-22-17-24(10-15-29(22)38)35(49)44-20-31-33(34(48)43-18-25-7-3-4-8-28(25)30-9-5-6-16-42-30)46(36(50)45(31)19-23(44)2)26-11-13-27(14-12-26)51-21-32(47)37(39,40)41/h3-17,23,32,47H,18-21H2,1-2H3,(H,43,48)/t23-,32+/m0/s1.

What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-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-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 764.60 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyridin-2-ylphenyl)methyl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropoxy]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164980262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).