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

C26H30N4O3S — CID 92738578

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

(6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738578) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738578
• Molecular Formula: C26H30N4O3S
• Molecular Weight: 478.62 g/mol
• Exact Mass: 478.20
• IUPAC Name: (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCOc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C26H30N4O3S/c1-3-33-20-13-11-19(12-14-20)30-24(31)22-16-21(23-10-7-15-34-23)28-29(22)17-26(30,2)25(32)27-18-8-5-4-6-9-18/h7,10-16,18H,3-6,8-9,17H2,1-2H3,(H,27,32)/t26-/m1/s1
• InChIKey: AEBBGSAQLMRSLM-AREMUKBSSA-N
• XLogP: 4.88
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.62
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738578) is (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1.

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

The InChIKey is AEBBGSAQLMRSLM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-3-33-20-13-11-19(12-14-20)30-24(31)22-16-21(23-10-7-15-34-23)28-29(22)17-26(30,2)25(32)27-18-8-5-4-6-9-18/h7,10-16,18H,3-6,8-9,17H2,1-2H3,(H,27,32)/t26-/m1/s1.

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

(6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).