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

C28H31FN4O3 — CID 92738974

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

(6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738974) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738974
• Molecular Formula: C28H31FN4O3
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.24
• IUPAC Name: (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCOc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(c2ccccc2F)C3=O)cc1
• InChI: InChI=1S/C28H31FN4O3/c1-3-36-21-15-13-19(14-16-21)23-17-25-26(34)33(24-12-8-7-11-22(24)29)28(2,18-32(25)31-23)27(35)30-20-9-5-4-6-10-20/h7-8,11-17,20H,3-6,9-10,18H2,1-2H3,(H,30,35)/t28-/m1/s1
• InChIKey: MSIICZBRAWMUPK-MUUNZHRXSA-N
• XLogP: 4.96
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738974) is (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(c2ccccc2F)C3=O)cc1.

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

The InChIKey is MSIICZBRAWMUPK-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-3-36-21-15-13-19(14-16-21)23-17-25-26(34)33(24-12-8-7-11-22(24)29)28(2,18-32(25)31-23)27(35)30-20-9-5-4-6-10-20/h7-8,11-17,20H,3-6,9-10,18H2,1-2H3,(H,30,35)/t28-/m1/s1.

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

(6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).