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

C29H33N5O4 — CID 95072741

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

(6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072741) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072741
• Molecular Formula: C29H33N5O4
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.25
• IUPAC Name: (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(OC)cc2)C3)cc1
• InChI: InChI=1S/C29H33N5O4/c1-4-19-5-7-20(8-6-19)15-30-26(35)24-25-27(36)34(22-11-12-22)29(2,17-33(25)18-32-24)28(37)31-16-21-9-13-23(38-3)14-10-21/h5-10,13-14,18,22H,4,11-12,15-17H2,1-3H3,(H,30,35)(H,31,37)/t29-/m0/s1
• InChIKey: NQZGKLITWOGRMK-LJAQVGFWSA-N
• XLogP: 3.08
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072741) is (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(OC)cc2)C3)cc1.

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

The InChIKey is NQZGKLITWOGRMK-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-4-19-5-7-20(8-6-19)15-30-26(35)24-25-27(36)34(22-11-12-22)29(2,17-33(25)18-32-24)28(37)31-16-21-9-13-23(38-3)14-10-21/h5-10,13-14,18,22H,4,11-12,15-17H2,1-3H3,(H,30,35)(H,31,37)/t29-/m0/s1.

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

(6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).