4-{[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1-(propan-2-yl)-1H-pyrazole

• ChemBase ID: 364902
• Molecular Formular: C19H21FN4O
• Molecular Mass: 340.3946432
• Monoisotopic Mass: 340.16993953
• SMILES: c12c(noc1CCN(C2)Cc1cn(nc1)C(C)C)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1noc2c1CN(CC2)Cc1cnn(c1)C(C)C
• InChI: InChI=1S/C19H21FN4O/c1-13(2)24-11-14(9-21-24)10-23-8-7-18-16(12-23)19(22-25-18)15-5-3-4-6-17(15)20/h3-6,9,11,13H,7-8,10,12H2,1-2H3
• InChIKey: JOSKLQRFGSHYJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1-(propan-2-yl)-1H-pyrazole
• IUPAC Traditional name: 4-{[3-(2-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1-isopropylpyrazole
• Synonyms: 3-(2-fluorophenyl)-5-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.772221
• LogD (pH = 7.4): 3.0100133
• Log P: 3.1118698
• Molar Refractivity: 107.0042 cm^3
• Polarizability: 36.842777 Å^3
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.0
• LOG S: -3.81
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 3