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

C25H26N4O4 — CID 92891942

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

methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891942) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891942
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(c1ccc(C)cc1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2
• InChI: InChI=1S/C25H26N4O4/c1-16-5-9-18(10-6-16)13-26-24(32)25(3)14-28-15-27-20(23(31)33-4)21(28)22(30)29(25)19-11-7-17(2)8-12-19/h5-12,15H,13-14H2,1-4H3,(H,26,32)/t25-/m1/s1
• InChIKey: DDJLXYPZQPAXRY-RUZDIDTESA-N
• XLogP: 3.02
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891942) is methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

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

The canonical SMILES for methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1ccc(C)cc1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2.

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

The InChIKey is DDJLXYPZQPAXRY-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16-5-9-18(10-6-16)13-26-24(32)25(3)14-28-15-27-20(23(31)33-4)21(28)22(30)29(25)19-11-7-17(2)8-12-19/h5-12,15H,13-14H2,1-4H3,(H,26,32)/t25-/m1/s1.

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

methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).