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

• ChemBase ID: 653968
• Molecular Formular: C24H27FN4
• Molecular Mass: 390.4963832
• Monoisotopic Mass: 390.2219751
• SMILES: c12c(n[nH]c1CCN(C2)C1CCN(CC1)Cc1ccccc1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1n[nH]c2c1CN(CC2)C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C24H27FN4/c25-20-8-4-7-19(15-20)24-22-17-29(14-11-23(22)26-27-24)21-9-12-28(13-10-21)16-18-5-2-1-3-6-18/h1-8,15,21H,9-14,16-17H2,(H,26,27)
• InChIKey: ZJYQAPIAJWTKQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.334206
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.07620952
• LogD (pH = 7.4): 2.1125076
• Log P: 3.8770716
• Molar Refractivity: 116.6299 cm^3
• Polarizability: 45.445366 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: 3
• H Donor: 1
• Log P: 4.17
• LOG S: -4.43
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 4