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

C26H30N4O3S — CID 92738944

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

(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738944) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738944
• Molecular Formula: C26H30N4O3S
• Molecular Weight: 478.62 g/mol
• Exact Mass: 478.20
• IUPAC Name: (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)cc1
• InChI: InChI=1S/C26H30N4O3S/c1-26(25(32)27-19-7-4-3-5-8-19)17-30-23(24(31)29(26)16-21-9-6-14-34-21)15-22(28-30)18-10-12-20(33-2)13-11-18/h6,9-15,19H,3-5,7-8,16-17H2,1-2H3,(H,27,32)/t26-/m1/s1
• InChIKey: PQTXPVKQYBIANQ-AREMUKBSSA-N
• XLogP: 4.48
• 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	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738944) is (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)cc1.

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

The InChIKey is PQTXPVKQYBIANQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-26(25(32)27-19-7-4-3-5-8-19)17-30-23(24(31)29(26)16-21-9-6-14-34-21)15-22(28-30)18-10-12-20(33-2)13-11-18/h6,9-15,19H,3-5,7-8,16-17H2,1-2H3,(H,27,32)/t26-/m1/s1.

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

(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).