6-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-2-methylpyrimidin-4-ol

• ChemBase ID: 469985
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n12c(nc(cc1NCCc1nc(nc(c1)O)C)c1c(F)cccc1)ccn2
• Canonical SMILES: Oc1cc(CCNc2cc(nc3n2ncc3)c2ccccc2F)nc(n1)C
• InChI: InChI=1S/C19H17FN6O/c1-12-23-13(10-19(27)24-12)6-8-21-18-11-16(14-4-2-3-5-15(14)20)25-17-7-9-22-26(17)18/h2-5,7,9-11,21H,6,8H2,1H3,(H,23,24,27)
• InChIKey: BYDZUAWTFJYBAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 6-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-2-methylpyrimidin-4-ol
• Synonyms: 6-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-2-methylpyrimidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.700769
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 3.4714618
• LogD (pH = 7.4): 3.4715397
• Log P: 3.471543
• Molar Refractivity: 110.5742 cm^3
• Polarizability: 37.919098 Å^3
• Polar Surface Area: 88.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.03
• LOG S: -3.59
• Polar Surface Area: 88.23 Å^2
• Rotatable Bonds: 5