4-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-1-ethylpiperidine

• ChemBase ID: 775687
• Molecular Formular: C19H24F2N4
• Molecular Mass: 346.4174664
• Monoisotopic Mass: 346.19690323
• SMILES: c1(nc2c([nH]1)CCN(C2)C1CCN(CC1)CC)c1c(cc(cc1)F)F
• Canonical SMILES: CCN1CCC(CC1)N1CCc2c(C1)nc([nH]2)c1ccc(cc1F)F
• InChI: InChI=1S/C19H24F2N4/c1-2-24-8-5-14(6-9-24)25-10-7-17-18(12-25)23-19(22-17)15-4-3-13(20)11-16(15)21/h3-4,11,14H,2,5-10,12H2,1H3,(H,22,23)
• InChIKey: PLJMMHSZAGWMKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-1-ethylpiperidine
• IUPAC Traditional name: 4-[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-1-ethylpiperidine
• Synonyms: 2-(2,4-difluorophenyl)-5-(1-ethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7956915
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5729431
• LogD (pH = 7.4): 0.39324987
• Log P: 2.302621
• Molar Refractivity: 106.0649 cm^3
• Polarizability: 36.65099 Å^3
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.75
• LOG S: -3.07
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 3