(6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H31N5O4 — CID 95072964

About (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072964) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072964
• Molecular Formula: C28H31N5O4
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.24
• IUPAC Name: (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2cccc(C)c2)C3)cc1
• InChI: InChI=1S/C28H31N5O4/c1-18-5-4-6-20(13-18)15-30-27(36)28(2)16-32-17-31-23(24(32)26(35)33(28)21-9-10-21)25(34)29-14-19-7-11-22(37-3)12-8-19/h4-8,11-13,17,21H,9-10,14-16H2,1-3H3,(H,29,34)(H,30,36)/t28-/m1/s1
• InChIKey: WAZUDBMJLHDXJN-MUUNZHRXSA-N
• XLogP: 2.82
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072964) is (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2cccc(C)c2)C3)cc1.

What is the InChIKey of (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is WAZUDBMJLHDXJN-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-18-5-4-6-20(13-18)15-30-27(36)28(2)16-32-17-31-23(24(32)26(35)33(28)21-9-10-21)25(34)29-14-19-7-11-22(37-3)12-8-19/h4-8,11-13,17,21H,9-10,14-16H2,1-3H3,(H,29,34)(H,30,36)/t28-/m1/s1.

What are the key properties of (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 501.59 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).