5-(2-fluorophenyl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 576843
• Molecular Formular: C19H19FN6O
• Molecular Mass: 366.3921632
• Monoisotopic Mass: 366.16043748
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)NC(c1n(ncc1)C)COC
• Canonical SMILES: COCC(c1ccnn1C)Nc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C19H19FN6O/c1-25-17(7-9-21-25)16(12-27-2)24-19-11-15(13-5-3-4-6-14(13)20)23-18-8-10-22-26(18)19/h3-11,16,24H,12H2,1-2H3
• InChIKey: SOQAERKYIPUAJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.838549
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4758086
• LogD (pH = 7.4): 2.4759436
• Log P: 2.4759452
• Molar Refractivity: 122.3085 cm^3
• Polarizability: 38.51171 Å^3
• Polar Surface Area: 69.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.19
• LOG S: -3.74
• Polar Surface Area: 69.27 Å^2
• Rotatable Bonds: 6