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

C27H28ClN5O3 — CID 95073012

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

(6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95073012) has the molecular formula C27H28ClN5O3 and a molecular weight of 506.01 g/mol. Its IUPAC name is (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95073012
• Molecular Formula: C27H28ClN5O3
• Molecular Weight: 506.01 g/mol
• Exact Mass: 505.19
• IUPAC Name: (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CN(Cc1ccccc1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1Cl)C2
• InChI: InChI=1S/C27H28ClN5O3/c1-27(26(36)29-14-19-10-6-7-11-21(19)28)16-32-17-30-22(23(32)25(35)33(27)20-12-13-20)24(34)31(2)15-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,29,36)/t27-/m0/s1
• InChIKey: GKLQPMCUAZOTDS-MHZLTWQESA-N
• XLogP: 3.50
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.01
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95073012) is (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1Cl)C2.

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

The InChIKey is GKLQPMCUAZOTDS-MHZLTWQESA-N. The full InChI is InChI=1S/C27H28ClN5O3/c1-27(26(36)29-14-19-10-6-7-11-21(19)28)16-32-17-30-22(23(32)25(35)33(27)20-12-13-20)24(34)31(2)15-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,29,36)/t27-/m0/s1.

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

(6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 506.01 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95073012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).