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

C27H31N5O3 — CID 93068789

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

(6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 93068789) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 93068789
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)Nc3ccc(CC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C27H31N5O3/c1-4-15-32-25(34)23-22(24(33)30-21-13-11-19(5-2)12-14-21)29-18-31(23)17-27(32,3)26(35)28-16-20-9-7-6-8-10-20/h6-14,18H,4-5,15-17H2,1-3H3,(H,28,35)(H,30,33)/t27-/m0/s1
• InChIKey: JFABFGCOGYJPOW-MHZLTWQESA-N
• XLogP: 3.64
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 93068789) is (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)Nc3ccc(CC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccccc1.

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

The InChIKey is JFABFGCOGYJPOW-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N5O3/c1-4-15-32-25(34)23-22(24(33)30-21-13-11-19(5-2)12-14-21)29-18-31(23)17-27(32,3)26(35)28-16-20-9-7-6-8-10-20/h6-14,18H,4-5,15-17H2,1-3H3,(H,28,35)(H,30,33)/t27-/m0/s1.

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

(6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 93068789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).