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

C27H31N5O3 — CID 53083856

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

6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53083856) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53083856
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCc3cccc(C)c3)ncn2CC1(C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C27H31N5O3/c1-4-13-32-25(34)23-22(24(33)28-16-21-12-8-9-19(2)14-21)30-18-31(23)17-27(32,3)26(35)29-15-20-10-6-5-7-11-20/h5-12,14,18H,4,13,15-17H2,1-3H3,(H,28,33)(H,29,35)
• InChIKey: NRSSDTBZDNFGCW-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53083856) is 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3cccc(C)c3)ncn2CC1(C)C(=O)NCc1ccccc1.

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

The InChIKey is NRSSDTBZDNFGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-4-13-32-25(34)23-22(24(33)28-16-21-12-8-9-19(2)14-21)30-18-31(23)17-27(32,3)26(35)29-15-20-10-6-5-7-11-20/h5-12,14,18H,4,13,15-17H2,1-3H3,(H,28,33)(H,29,35).

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

6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).