1-phenyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}cyclohexane-1-carboxamide

• ChemBase ID: 731042
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: n12c(c(cn1)CNC(=O)C1(c3ccccc3)CCCCC1)cccc2
• Canonical SMILES: O=C(C1(CCCCC1)c1ccccc1)NCc1cnn2c1cccc2
• InChI: InChI=1S/C21H23N3O/c25-20(22-15-17-16-23-24-14-8-5-11-19(17)24)21(12-6-2-7-13-21)18-9-3-1-4-10-18/h1,3-5,8-11,14,16H,2,6-7,12-13,15H2,(H,22,25)
• InChIKey: CYOPSQFYLOGSJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}cyclohexane-1-carboxamide
• IUPAC Traditional name: 1-phenyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}cyclohexane-1-carboxamide
• Synonyms: 1-phenyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.321899
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2510614
• LogD (pH = 7.4): 4.2511177
• Log P: 4.2511187
• Molar Refractivity: 109.6933 cm^3
• Polarizability: 38.773575 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.89
• LOG S: -4.95
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4