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

C24H24N4O4 — CID 92891807

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

methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891807) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891807
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(c1ccc(C)cc1)[C@](C)(C(=O)NCc1ccccc1)C2
• InChI: InChI=1S/C24H24N4O4/c1-16-9-11-18(12-10-16)28-21(29)20-19(22(30)32-3)26-15-27(20)14-24(28,2)23(31)25-13-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,25,31)/t24-/m0/s1
• InChIKey: HEHJHJZKXXXNBI-DEOSSOPVSA-N
• XLogP: 2.71
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891807) is methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

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

The canonical SMILES for methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1ccc(C)cc1)[C@](C)(C(=O)NCc1ccccc1)C2.

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

The InChIKey is HEHJHJZKXXXNBI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-9-11-18(12-10-16)28-21(29)20-19(22(30)32-3)26-15-27(20)14-24(28,2)23(31)25-13-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,25,31)/t24-/m0/s1.

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

methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).