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

C25H25ClN4O4 — CID 92891896

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

methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891896) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891896
• Molecular Formula: C25H25ClN4O4
• Molecular Weight: 480.95 g/mol
• Exact Mass: 480.16
• IUPAC Name: methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(Cc1ccc(Cl)cc1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2
• InChI: InChI=1S/C25H25ClN4O4/c1-16-4-6-17(7-5-16)12-27-24(33)25(2)14-29-15-28-20(23(32)34-3)21(29)22(31)30(25)13-18-8-10-19(26)11-9-18/h4-11,15H,12-14H2,1-3H3,(H,27,33)/t25-/m1/s1
• InChIKey: AFULIMOHGGYZEV-RUZDIDTESA-N
• XLogP: 3.36
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.95
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891896) is methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

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

The canonical SMILES for methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccc(Cl)cc1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2.

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

The InChIKey is AFULIMOHGGYZEV-RUZDIDTESA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-16-4-6-17(7-5-16)12-27-24(33)25(2)14-29-15-28-20(23(32)34-3)21(29)22(31)30(25)13-18-8-10-19(26)11-9-18/h4-11,15H,12-14H2,1-3H3,(H,27,33)/t25-/m1/s1.

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

methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 480.95 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).