1-(3-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}propyl)piperidin-3-ol

• ChemBase ID: 669291
• Molecular Formular: C20H24FN5O
• Molecular Mass: 369.4358632
• Monoisotopic Mass: 369.19648863
• SMILES: n12c(nc(cc1NCCCN1CC(O)CCC1)c1c(F)cccc1)ccn2
• Canonical SMILES: OC1CCCN(C1)CCCNc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C20H24FN5O/c21-17-7-2-1-6-16(17)18-13-20(26-19(24-18)8-10-23-26)22-9-4-12-25-11-3-5-15(27)14-25/h1-2,6-8,10,13,15,22,27H,3-5,9,11-12,14H2
• InChIKey: DOGDFOXHHFQGJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}propyl)piperidin-3-ol
• IUPAC Traditional name: 1-(3-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}propyl)piperidin-3-ol
• Synonyms: 1-(3-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}propyl)-3-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.886505
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8751744
• LogD (pH = 7.4): 0.7807482
• Log P: 2.2448862
• Molar Refractivity: 114.5893 cm^3
• Polarizability: 40.276653 Å^3
• Polar Surface Area: 65.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.98
• LOG S: -3.43
• Polar Surface Area: 65.69 Å^2
• Rotatable Bonds: 6