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

C27H30N4O5 — CID 92750304

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

methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92750304) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 92750304
• Molecular Formula: C27H30N4O5
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.22
• IUPAC Name: methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: CCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NCc2ccccc2)cc1
• InChI: InChI=1S/C27H30N4O5/c1-4-14-36-21-12-10-20(11-13-21)16-31-24(32)23-22(25(33)35-3)29-18-30(23)17-27(31,2)26(34)28-15-19-8-6-5-7-9-19/h5-13,18H,4,14-17H2,1-3H3,(H,28,34)/t27-/m1/s1
• InChIKey: BZCNOISMMDYSPJ-HHHXNRCGSA-N
• XLogP: 3.19
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92750304) is methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

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

The canonical SMILES for methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NCc2ccccc2)cc1.

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

The InChIKey is BZCNOISMMDYSPJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-4-14-36-21-12-10-20(11-13-21)16-31-24(32)23-22(25(33)35-3)29-18-30(23)17-27(31,2)26(34)28-15-19-8-6-5-7-9-19/h5-13,18H,4,14-17H2,1-3H3,(H,28,34)/t27-/m1/s1.

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

methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92750304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).