(6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H28N4O2S — CID 95062675

About (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062675) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062675
• Molecular Formula: C28H28N4O2S
• Molecular Weight: 484.63 g/mol
• Exact Mass: 484.19
• IUPAC Name: (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1
• InChI: InChI=1S/C28H28N4O2S/c1-3-20-11-13-22(14-12-20)18-31-26(33)24-16-23(25-10-7-15-35-25)30-32(24)19-28(31,2)27(34)29-17-21-8-5-4-6-9-21/h4-16H,3,17-19H2,1-2H3,(H,29,34)/t28-/m1/s1
• InChIKey: ILEWGYKMUSIUGC-MUUNZHRXSA-N
• XLogP: 4.91
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062675) is (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1.

What is the InChIKey of (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is ILEWGYKMUSIUGC-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H28N4O2S/c1-3-20-11-13-22(14-12-20)18-31-26(33)24-16-23(25-10-7-15-35-25)30-32(24)19-28(31,2)27(34)29-17-21-8-5-4-6-9-21/h4-16H,3,17-19H2,1-2H3,(H,29,34)/t28-/m1/s1.

What are the key properties of (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).