methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C24H23FN4O4 — CID 92891814

About methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891814) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891814
• Molecular Formula: C24H23FN4O4
• Molecular Weight: 450.47 g/mol
• Exact Mass: 450.17
• IUPAC Name: methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(Cc1cccc(F)c1)[C@@](C)(C(=O)NCc1ccccc1)C2
• InChI: InChI=1S/C24H23FN4O4/c1-24(23(32)26-12-16-7-4-3-5-8-16)14-28-15-27-19(22(31)33-2)20(28)21(30)29(24)13-17-9-6-10-18(25)11-17/h3-11,15H,12-14H2,1-2H3,(H,26,32)/t24-/m1/s1
• InChIKey: VVPJLAPTUSBEQJ-XMMPIXPASA-N
• XLogP: 2.54
• 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	450.47
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891814) is methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1cccc(F)c1)[C@@](C)(C(=O)NCc1ccccc1)C2.

What is the InChIKey of methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is VVPJLAPTUSBEQJ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-24(23(32)26-12-16-7-4-3-5-8-16)14-28-15-27-19(22(31)33-2)20(28)21(30)29(24)13-17-9-6-10-18(25)11-17/h3-11,15H,12-14H2,1-2H3,(H,26,32)/t24-/m1/s1.

What are the key properties of methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 2.54, 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)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).