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

C24H26N4O2S — CID 95062745

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

(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062745) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062745
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1
• InChI: InChI=1S/C24H26N4O2S/c1-16-9-11-18(12-10-16)28-22(29)20-14-19(21-8-5-13-31-21)26-27(20)15-24(28,2)23(30)25-17-6-3-4-7-17/h5,8-14,17H,3-4,6-7,15H2,1-2H3,(H,25,30)/t24-/m1/s1
• InChIKey: HWDXOMANLOWEJM-XMMPIXPASA-N
• XLogP: 4.40
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062745) is (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1.

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

The InChIKey is HWDXOMANLOWEJM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-9-11-18(12-10-16)28-22(29)20-14-19(21-8-5-13-31-21)26-27(20)15-24(28,2)23(30)25-17-6-3-4-7-17/h5,8-14,17H,3-4,6-7,15H2,1-2H3,(H,25,30)/t24-/m1/s1.

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

(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).