1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C27H29N5O3 — CID 53084322

About 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084322) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53084322
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: Cc1cccc(CNC(=O)C2(C)Cn3cnc(C(=O)NCc4ccccc4)c3C(=O)N2C2CC2)c1
• InChI: InChI=1S/C27H29N5O3/c1-18-7-6-10-20(13-18)15-29-26(35)27(2)16-31-17-30-22(23(31)25(34)32(27)21-11-12-21)24(33)28-14-19-8-4-3-5-9-19/h3-10,13,17,21H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,35)
• InChIKey: AUOIHQZDZUUXDH-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084322) is 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1cccc(CNC(=O)C2(C)Cn3cnc(C(=O)NCc4ccccc4)c3C(=O)N2C2CC2)c1.

What is the InChIKey of 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is AUOIHQZDZUUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18-7-6-10-20(13-18)15-29-26(35)27(2)16-31-17-30-22(23(31)25(34)32(27)21-11-12-21)24(33)28-14-19-8-4-3-5-9-19/h3-10,13,17,21H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,35).

What are the key properties of 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 471.56 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).