5-[(3-fluorophenyl)methyl]-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 513677
• Molecular Formular: C19H18FN3
• Molecular Mass: 307.3647232
• Monoisotopic Mass: 307.14847581
• SMILES: c12c(n[nH]c1CCN(C2)Cc1cc(F)ccc1)c1ccccc1
• Canonical SMILES: Fc1cccc(c1)CN1CCc2c(C1)c(n[nH]2)c1ccccc1
• InChI: InChI=1S/C19H18FN3/c20-16-8-4-5-14(11-16)12-23-10-9-18-17(13-23)19(22-21-18)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H,21,22)
• InChIKey: AFTZEGFCWDJKFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3-fluorophenyl)methyl]-3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-[(3-fluorophenyl)methyl]-3-phenyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 5-(3-fluorobenzyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.392959
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7570326
• LogD (pH = 7.4): 3.4338357
• Log P: 3.8502655
• Molar Refractivity: 91.1788 cm^3
• Polarizability: 35.429348 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.14
• LOG S: -4.22
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 3