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

C25H28N4O2S — CID 95062696

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

(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062696) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062696
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C25H28N4O2S/c1-3-17-9-4-7-12-20(17)29-23(30)21-15-19(22-13-8-14-32-22)27-28(21)16-25(29,2)24(31)26-18-10-5-6-11-18/h4,7-9,12-15,18H,3,5-6,10-11,16H2,1-2H3,(H,26,31)/t25-/m0/s1
• InChIKey: FCVHQGIDXFFCBE-VWLOTQADSA-N
• XLogP: 4.65
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062696) is (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCC1.

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

The InChIKey is FCVHQGIDXFFCBE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-3-17-9-4-7-12-20(17)29-23(30)21-15-19(22-13-8-14-32-22)27-28(21)16-25(29,2)24(31)26-18-10-5-6-11-18/h4,7-9,12-15,18H,3,5-6,10-11,16H2,1-2H3,(H,26,31)/t25-/m0/s1.

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

(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).