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

C40H42BrN7O5 — CID 164997352

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

7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164997352) has the molecular formula C40H42BrN7O5 and a molecular weight of 780.72 g/mol. Its IUPAC name is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164997352
• Molecular Formula: C40H42BrN7O5
• Molecular Weight: 780.72 g/mol
• Exact Mass: 779.24
• IUPAC Name: 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-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](C)N5CCOCC5)cc4)c(=O)n3CC2C)ccc1Br
• InChI: InChI=1S/C40H42BrN7O5/c1-26-21-29(9-14-34(26)41)39(50)46-24-35-36(38(49)44-22-30-7-4-5-8-33(30)37-42-15-6-16-43-37)48(40(51)47(35)23-27(46)2)31-10-12-32(13-11-31)53-25-28(3)45-17-19-52-20-18-45/h4-16,21,27-28H,17-20,22-25H2,1-3H3,(H,44,49)/t27?,28-/m1/s1
• InChIKey: AWFCFFGJUCFTFU-PLYLYKGUSA-N
• XLogP: 5.24
• TPSA: 123.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.72
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164997352) is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]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 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-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](C)N5CCOCC5)cc4)c(=O)n3CC2C)ccc1Br.

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

The InChIKey is AWFCFFGJUCFTFU-PLYLYKGUSA-N. The full InChI is InChI=1S/C40H42BrN7O5/c1-26-21-29(9-14-34(26)41)39(50)46-24-35-36(38(49)44-22-30-7-4-5-8-33(30)37-42-15-6-16-43-37)48(40(51)47(35)23-27(46)2)31-10-12-32(13-11-31)53-25-28(3)45-17-19-52-20-18-45/h4-16,21,27-28H,17-20,22-25H2,1-3H3,(H,44,49)/t27?,28-/m1/s1.

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

7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]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 780.72 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(2R)-2-morpholin-4-ylpropoxy]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 164997352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).