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

C36H35BrN6O5 — CID 164968821

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

7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164968821) has the molecular formula C36H35BrN6O5 and a molecular weight of 711.62 g/mol. Its IUPAC name is 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164968821
• Molecular Formula: C36H35BrN6O5
• Molecular Weight: 711.62 g/mol
• Exact Mass: 710.19
• IUPAC Name: 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OC[C@H](C)O)cc4)c(=O)n3CC2C)ccc1Br
• InChI: InChI=1S/C36H35BrN6O5/c1-22-16-25(8-13-30(22)37)35(46)41-19-32-33(34(45)39-17-26-6-4-5-7-29(26)31-14-15-38-21-40-31)43(36(47)42(32)18-23(41)2)27-9-11-28(12-10-27)48-20-24(3)44/h4-16,21,23-24,44H,17-20H2,1-3H3,(H,39,45)/t23?,24-/m0/s1
• InChIKey: BBRWCIPBTSOSAB-CGAIIQECSA-N
• XLogP: 4.90
• TPSA: 131.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	711.62
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164968821) is 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OC[C@H](C)O)cc4)c(=O)n3CC2C)ccc1Br.

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

The InChIKey is BBRWCIPBTSOSAB-CGAIIQECSA-N. The full InChI is InChI=1S/C36H35BrN6O5/c1-22-16-25(8-13-30(22)37)35(46)41-19-32-33(34(45)39-17-26-6-4-5-7-29(26)31-14-15-38-21-40-31)43(36(47)42(32)18-23(41)2)27-9-11-28(12-10-27)48-20-24(3)44/h4-16,21,23-24,44H,17-20H2,1-3H3,(H,39,45)/t23?,24-/m0/s1.

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

7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 711.62 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-methylbenzoyl)-2-[4-[(2S)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164968821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).