2-Allyl-1-[6-(2-Hydroxy-2-Propanyl)-2-Pyridinyl]-6-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-1,2-Dihydro-3H-Pyrazolo[3,4-D]Pyrimidin-3-One

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Formula C27H32N8O2
IUPAC Name 2-allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]-6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-3-one
Molecular Mass 500.595 g·mol−1
Heat of Formation 263.6 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 610.62 Å 3
Surface Area 499.36 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey BKWJAKQVGHWELA-UHFFFAOYSA-N
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