5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

• ChemBase ID: 772147
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n1c(noc1c1cnc(N(CCc2c[nH]nc2)C)cc1)c1c(F)cccc1
• Canonical SMILES: CN(c1ccc(cn1)c1onc(n1)c1ccccc1F)CCc1c[nH]nc1
• InChI: InChI=1S/C19H17FN6O/c1-26(9-8-13-10-22-23-11-13)17-7-6-14(12-21-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23)
• InChIKey: JVWDDXHUFLDOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
• Synonyms: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.512667
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.15979
• LogD (pH = 7.4): 4.2483225
• Log P: 4.2495823
• Molar Refractivity: 123.0434 cm^3
• Polarizability: 37.75539 Å^3
• Polar Surface Area: 83.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.16
• LOG S: -5.48
• Polar Surface Area: 83.73 Å^2
• Rotatable Bonds: 6