(6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H30ClN5O3 — CID 95072497

About (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072497) has the molecular formula C28H30ClN5O3 and a molecular weight of 520.03 g/mol. Its IUPAC name is (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072497
• Molecular Formula: C28H30ClN5O3
• Molecular Weight: 520.03 g/mol
• Exact Mass: 519.20
• IUPAC Name: (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: Cc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCCc4ccc(Cl)cc4)c3C(=O)N2C2CC2)cc1
• InChI: InChI=1S/C28H30ClN5O3/c1-18-3-5-20(6-4-18)15-31-27(37)28(2)16-33-17-32-23(24(33)26(36)34(28)22-11-12-22)25(35)30-14-13-19-7-9-21(29)10-8-19/h3-10,17,22H,11-16H2,1-2H3,(H,30,35)(H,31,37)/t28-/m0/s1
• InChIKey: SUEKGTHTZHGEQG-NDEPHWFRSA-N
• XLogP: 3.51
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.03
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072497) is (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCCc4ccc(Cl)cc4)c3C(=O)N2C2CC2)cc1.

What is the InChIKey of (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is SUEKGTHTZHGEQG-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H30ClN5O3/c1-18-3-5-20(6-4-18)15-31-27(37)28(2)16-33-17-32-23(24(33)26(36)34(28)22-11-12-22)25(35)30-14-13-19-7-9-21(29)10-8-19/h3-10,17,22H,11-16H2,1-2H3,(H,30,35)(H,31,37)/t28-/m0/s1.

What are the key properties of (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 520.03 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).