4-{3-benzyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1-(2-fluorophenyl)piperidine

• ChemBase ID: 707148
• Molecular Formular: C24H27FN4
• Molecular Mass: 390.4963832
• Monoisotopic Mass: 390.2219751
• SMILES: c12c(n[nH]c1CCN(C2)C1CCN(c2c(F)cccc2)CC1)Cc1ccccc1
• Canonical SMILES: Fc1ccccc1N1CCC(CC1)N1CCc2c(C1)c(n[nH]2)Cc1ccccc1
• InChI: InChI=1S/C24H27FN4/c25-21-8-4-5-9-24(21)28-13-10-19(11-14-28)29-15-12-22-20(17-29)23(27-26-22)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,26,27)
• InChIKey: UFSDIFNPCRLBLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-benzyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1-(2-fluorophenyl)piperidine
• IUPAC Traditional name: 4-{3-benzyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1-(2-fluorophenyl)piperidine
• Synonyms: 3-benzyl-5-[1-(2-fluorophenyl)-4-piperidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.578633
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2757521
• LogD (pH = 7.4): 3.0485651
• Log P: 3.976353
• Molar Refractivity: 117.065 cm^3
• Polarizability: 43.595814 Å^3
• Polar Surface Area: 35.16 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: 4.15
• LOG S: -4.58
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 4