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

C37H37BrN6O4 — CID 165103040

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

7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165103040) has the molecular formula C37H37BrN6O4 and a molecular weight of 709.65 g/mol. Its IUPAC name is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-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)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165103040
• Molecular Formula: C37H37BrN6O4
• Molecular Weight: 709.65 g/mol
• Exact Mass: 708.21
• IUPAC Name: 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-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(OCC(C)C)cc4)c(=O)n3CC2C)ccc1Br
• InChI: InChI=1S/C37H37BrN6O4/c1-23(2)21-48-29-12-10-28(11-13-29)44-34(35(45)40-18-27-7-5-6-8-30(27)32-15-16-39-22-41-32)33-20-42(25(4)19-43(33)37(44)47)36(46)26-9-14-31(38)24(3)17-26/h5-17,22-23,25H,18-21H2,1-4H3,(H,40,45)
• InChIKey: LLTYBJWPGFOYHG-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.65
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-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)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165103040) is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-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)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-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)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-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(OCC(C)C)cc4)c(=O)n3CC2C)ccc1Br.

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

The InChIKey is LLTYBJWPGFOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37BrN6O4/c1-23(2)21-48-29-12-10-28(11-13-29)44-34(35(45)40-18-27-7-5-6-8-30(27)32-15-16-39-22-41-32)33-20-42(25(4)19-43(33)37(44)47)36(46)26-9-14-31(38)24(3)17-26/h5-17,22-23,25H,18-21H2,1-4H3,(H,40,45).

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

7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 709.65 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165103040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).