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

C27H26FN5O4 — CID 95072562

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

(6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072562) has the molecular formula C27H26FN5O4 and a molecular weight of 503.53 g/mol. Its IUPAC name is (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072562
• Molecular Formula: C27H26FN5O4
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.20
• IUPAC Name: (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1
• InChI: InChI=1S/C27H26FN5O4/c1-16(34)18-5-9-20(10-6-18)31-24(35)22-23-25(36)33(21-11-12-21)27(2,14-32(23)15-30-22)26(37)29-13-17-3-7-19(28)8-4-17/h3-10,15,21H,11-14H2,1-2H3,(H,29,37)(H,31,35)/t27-/m1/s1
• InChIKey: IEOYFZUFPICRJH-HHHXNRCGSA-N
• XLogP: 3.17
• TPSA: 113.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072562) is (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1.

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

The InChIKey is IEOYFZUFPICRJH-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26FN5O4/c1-16(34)18-5-9-20(10-6-18)31-24(35)22-23-25(36)33(21-11-12-21)27(2,14-32(23)15-30-22)26(37)29-13-17-3-7-19(28)8-4-17/h3-10,15,21H,11-14H2,1-2H3,(H,29,37)(H,31,35)/t27-/m1/s1.

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

(6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 503.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).