7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C39H39BrN8O3 — CID 165070346

About 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165070346) has the molecular formula C39H39BrN8O3 and a molecular weight of 747.70 g/mol. Its IUPAC name is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165070346
• Molecular Formula: C39H39BrN8O3
• Molecular Weight: 747.70 g/mol
• Exact Mass: 746.23
• IUPAC Name: 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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(N5CC6(CN(C)C6)C5)cc4)c(=O)n3CC2C)ccc1Br
• InChI: InChI=1S/C39H39BrN8O3/c1-25-17-27(9-14-32(25)40)37(50)46-20-33-34(36(49)43-18-28-7-4-5-8-31(28)35-41-15-6-16-42-35)48(38(51)47(33)19-26(46)2)30-12-10-29(11-13-30)45-23-39(24-45)21-44(3)22-39/h4-17,26H,18-24H2,1-3H3,(H,43,49)
• InChIKey: JKZDCJRCJUKPAK-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 108.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.70
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165070346) is 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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(N5CC6(CN(C)C6)C5)cc4)c(=O)n3CC2C)ccc1Br.

What is the InChIKey of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is JKZDCJRCJUKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39BrN8O3/c1-25-17-27(9-14-32(25)40)37(50)46-20-33-34(36(49)43-18-28-7-4-5-8-31(28)35-41-15-6-16-42-35)48(38(51)47(33)19-26(46)2)30-12-10-29(11-13-30)45-23-39(24-45)21-44(3)22-39/h4-17,26H,18-24H2,1-3H3,(H,43,49).

What are the key properties of 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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 747.70 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)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 165070346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).