methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C27H30N4O5 — CID 92891950

About methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92891950) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92891950
• Molecular Formula: C27H30N4O5
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.22
• IUPAC Name: methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: CCOc1ccccc1CN1C(=O)c2c(C(=O)OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1
• InChI: InChI=1S/C27H30N4O5/c1-5-36-21-9-7-6-8-20(21)15-31-24(32)23-22(25(33)35-4)29-17-30(23)16-27(31,3)26(34)28-14-19-12-10-18(2)11-13-19/h6-13,17H,5,14-16H2,1-4H3,(H,28,34)/t27-/m1/s1
• InChIKey: VDTNEXSXPWRZKN-HHHXNRCGSA-N
• XLogP: 3.11
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92891950) is methyl (6R)-7-[(2-ethoxyphenyl)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-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CCOc1ccccc1CN1C(=O)c2c(C(=O)OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1.

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

The InChIKey is VDTNEXSXPWRZKN-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-5-36-21-9-7-6-8-20(21)15-31-24(32)23-22(25(33)35-4)29-17-30(23)16-27(31,3)26(34)28-14-19-12-10-18(2)11-13-19/h6-13,17H,5,14-16H2,1-4H3,(H,28,34)/t27-/m1/s1.

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

methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-7-[(2-ethoxyphenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92891950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).