2-(4-fluorophenyl)-2-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)ethan-1-ol

• ChemBase ID: 516056
• Molecular Formular: C17H18FN5O
• Molecular Mass: 327.3561232
• Monoisotopic Mass: 327.14953844
• SMILES: c1(c2n(C(c3ccc(cc3)F)CO)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: OCC(n1ccnc1c1nn2c(c1)CNCC2)c1ccc(cc1)F
• InChI: InChI=1S/C17H18FN5O/c18-13-3-1-12(2-4-13)16(11-24)22-7-6-20-17(22)15-9-14-10-19-5-8-23(14)21-15/h1-4,6-7,9,16,19,24H,5,8,10-11H2
• InChIKey: GYGCEBLFBAEDGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-2-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-fluorophenyl)-2-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)ethanol
• Synonyms: 2-(4-fluorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.905848
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9066844
• LogD (pH = 7.4): 0.8926263
• Log P: 1.4605976
• Molar Refractivity: 109.4905 cm^3
• Polarizability: 33.94597 Å^3
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.31
• LOG S: -1.62
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 4