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

C26H28N4O5 — CID 92891907

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

methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891907) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891907
• Molecular Formula: C26H28N4O5
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC)cc1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2
• InChI: InChI=1S/C26H28N4O5/c1-17-5-7-18(8-6-17)13-27-25(33)26(2)15-29-16-28-21(24(32)35-4)22(29)23(31)30(26)14-19-9-11-20(34-3)12-10-19/h5-12,16H,13-15H2,1-4H3,(H,27,33)/t26-/m0/s1
• InChIKey: GPXUTAWFAAPVGG-SANMLTNESA-N
• XLogP: 2.72
• 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	476.53
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891907) is methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

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

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

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

The InChIKey is GPXUTAWFAAPVGG-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O5/c1-17-5-7-18(8-6-17)13-27-25(33)26(2)15-29-16-28-21(24(32)35-4)22(29)23(31)30(26)14-19-9-11-20(34-3)12-10-19/h5-12,16H,13-15H2,1-4H3,(H,27,33)/t26-/m0/s1.

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

methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 2.72, 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-methoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).