1-(4-{4-(4-Morpholinyl)-1-[1-(3-Pyridinylcarbonyl)-4-Piperidinyl]-1H-Pyrazolo[3,4-D]Pyrimidin-6-Yl}Phenyl)-3-(4-Pyridinyl)Urea

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Properties Simple | Detailed

Formula C32H32N10O3
IUPAC Name 1-[4-[4-morpholino-1-[1-(pyridine-3-carbonyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-1-ium-2-id-6-yl]phenyl]-3-(4-pyridyl)urea
Molecular Mass 604.662 g·mol−1
Heat of Formation 200.2 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 692.18 Å 3
Surface Area 587.03 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey HLHOHTNONYACFD-UHFFFAOYSA-N
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