methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C25H25ClN4O5 — CID 92891825

About methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891825) has the molecular formula C25H25ClN4O5 and a molecular weight of 496.95 g/mol. Its IUPAC name is methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891825
• Molecular Formula: C25H25ClN4O5
• Molecular Weight: 496.95 g/mol
• Exact Mass: 496.15
• IUPAC Name: methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(Cc1ccc(Cl)cc1)[C@](C)(C(=O)NCc1ccccc1OC)C2
• InChI: InChI=1S/C25H25ClN4O5/c1-25(24(33)27-12-17-6-4-5-7-19(17)34-2)14-29-15-28-20(23(32)35-3)21(29)22(31)30(25)13-16-8-10-18(26)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,27,33)/t25-/m0/s1
• InChIKey: DOOKVIYAXPYHOC-VWLOTQADSA-N
• XLogP: 3.06
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.95
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891825) is methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccc(Cl)cc1)[C@](C)(C(=O)NCc1ccccc1OC)C2.

What is the InChIKey of methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is DOOKVIYAXPYHOC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25ClN4O5/c1-25(24(33)27-12-17-6-4-5-7-19(17)34-2)14-29-15-28-20(23(32)35-3)21(29)22(31)30(25)13-16-8-10-18(26)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,27,33)/t25-/m0/s1.

What are the key properties of methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 496.95 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).