N3-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N1-(pyridin-3-yl)propane-1,3-diamine

• ChemBase ID: 525793
• Molecular Formular: C20H19FN6
• Molecular Mass: 362.4034632
• Monoisotopic Mass: 362.16552286
• SMILES: n12c(nc(cc1NCCCNc1cnccc1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCCCNc2cccnc2)n2c(n1)ccn2
• InChI: InChI=1S/C20H19FN6/c21-17-7-2-1-6-16(17)18-13-20(27-19(26-18)8-12-25-27)24-11-4-10-23-15-5-3-9-22-14-15/h1-3,5-9,12-14,23-24H,4,10-11H2
• InChIKey: MYCACGOGDJDETE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N1-(pyridin-3-yl)propane-1,3-diamine
• IUPAC Traditional name: N3-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N1-(pyridin-3-yl)propane-1,3-diamine
• Synonyms: N-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-3-pyridinyl-1,3-propanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1983678
• LogD (pH = 7.4): 2.5012162
• Log P: 2.5076058
• Molar Refractivity: 115.1926 cm^3
• Polarizability: 39.487827 Å^3
• Polar Surface Area: 67.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.61
• LOG S: -4.07
• Polar Surface Area: 67.14 Å^2
• Rotatable Bonds: 7