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

C37H38BrN7O4 — CID 165035640

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

(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165035640) has the molecular formula C37H38BrN7O4 and a molecular weight of 724.66 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165035640
• Molecular Formula: C37H38BrN7O4
• Molecular Weight: 724.66 g/mol
• Exact Mass: 723.22
• IUPAC Name: (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CN[C@H](C)COc1ccc(-n2c(C(=O)NCc3ccccc3-c3ncccn3)c3n(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1
• InChI: InChI=1S/C37H38BrN7O4/c1-23-18-26(10-15-31(23)38)36(47)43-21-32-33(35(46)42-19-27-8-5-6-9-30(27)34-40-16-7-17-41-34)45(37(48)44(32)20-25(43)3)28-11-13-29(14-12-28)49-22-24(2)39-4/h5-18,24-25,39H,19-22H2,1-4H3,(H,42,46)/t24-,25+/m1/s1
• InChIKey: NXPTYWZNUYXRJT-RPBOFIJWSA-N
• XLogP: 5.13
• TPSA: 123.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.66
LogP ≤ 5	5.13
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-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165035640) is (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-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-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CN[C@H](C)COc1ccc(-n2c(C(=O)NCc3ccccc3-c3ncccn3)c3n(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.

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

The InChIKey is NXPTYWZNUYXRJT-RPBOFIJWSA-N. The full InChI is InChI=1S/C37H38BrN7O4/c1-23-18-26(10-15-31(23)38)36(47)43-21-32-33(35(46)42-19-27-8-5-6-9-30(27)34-40-16-7-17-41-34)45(37(48)44(32)20-25(43)3)28-11-13-29(14-12-28)49-22-24(2)39-4/h5-18,24-25,39H,19-22H2,1-4H3,(H,42,46)/t24-,25+/m1/s1.

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

(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 724.66 g/mol, XLogP of 5.13, 10 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-2-[4-[(2R)-2-(methylamino)propoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165035640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).