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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Properties Simple | Detailed

Formula C27H29N8O2
IUPAC Name 1-(2-ethynyl-3,4-dihydro-1h-pyridine-2,3,4-triid-6-yl)-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-ynyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-one; methanone
Molecular Mass 497.572 g·mol−1
Heat of Formation 1757.8 ± 16.7 kJ·mol−1
Dipole Moment 11.00 ± 1.08 D
Volume 597.12 Å 3
Surface Area 498.94 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey BKWJAKQVGHWELA-UHFFFAOYSA-N
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