6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C25H35N5O3 — CID 50792423

About 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 50792423) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 50792423
• Molecular Formula: C25H35N5O3
• Molecular Weight: 453.59 g/mol
• Exact Mass: 453.27
• IUPAC Name: 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCCc3ccccc3)ncn2CC1(C)C(=O)NCCC(C)C
• InChI: InChI=1S/C25H35N5O3/c1-5-15-30-23(32)21-20(22(31)26-14-12-19-9-7-6-8-10-19)28-17-29(21)16-25(30,4)24(33)27-13-11-18(2)3/h6-10,17-18H,5,11-16H2,1-4H3,(H,26,31)(H,27,33)
• InChIKey: OJWOHKAJCNJXQK-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.59
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 50792423) is 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCCc3ccccc3)ncn2CC1(C)C(=O)NCCC(C)C.

What is the InChIKey of 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is OJWOHKAJCNJXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-5-15-30-23(32)21-20(22(31)26-14-12-19-9-7-6-8-10-19)28-17-29(21)16-25(30,4)24(33)27-13-11-18(2)3/h6-10,17-18H,5,11-16H2,1-4H3,(H,26,31)(H,27,33).

What are the key properties of 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 453.59 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 50792423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).