methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C25H26N4O4 — CID 92750266

About methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92750266) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92750266
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(Cc1ccc(C)cc1)[C@@](C)(C(=O)NCc1ccccc1)C2
• InChI: InChI=1S/C25H26N4O4/c1-17-9-11-19(12-10-17)14-29-22(30)21-20(23(31)33-3)27-16-28(21)15-25(29,2)24(32)26-13-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,26,32)/t25-/m1/s1
• InChIKey: TVDFNPAMKMZCDE-RUZDIDTESA-N
• XLogP: 2.71
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92750266) is methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccc(C)cc1)[C@@](C)(C(=O)NCc1ccccc1)C2.

What is the InChIKey of methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is TVDFNPAMKMZCDE-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N4O4/c1-17-9-11-19(12-10-17)14-29-22(30)21-20(23(31)33-3)27-16-28(21)15-25(29,2)24(32)26-13-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,26,32)/t25-/m1/s1.

What are the key properties of methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-6-(benzylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92750266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).