New pyrazolopyrimidine derivatives with anticancer activity: Design, synthesis, PIM-1 inhibition, molecular docking study and molecular dynamics

•Novel pyrazolopyrimidine derivatives have been synthesized and characterized.•2D NMR experiments were used to confirm regiospecific structure of pyrimidine ring.•These derivatives showed clear antitumor activities in vitro against MCF-7 and HCT-116 cell lines.•PIM-1 inhibitory activity was measured for the most active derivatives.•Molecular docking study and molecular dynamic simulation were conducted.