1-Ethyl-5-{5-[(4-Methyl-1-Piperazinyl)Methyl]-1,3,4-Oxadiazol-2-Yl}-N-(Tetrahydro-2H-Pyran-4-Yl)-1H-Pyrazolo[3,4-B]Pyridin-4-Amine

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Properties Simple | Detailed

Formula C21H30N8O2
IUPAC Name 1-ethyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-n-tetrahydropyran-4-yl-pyrazolo[3,4-b]pyridin-1-ium-2-id-4-amine
Molecular Mass 426.515 g·mol−1
Heat of Formation 137.2 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 510.19 Å 3
Surface Area 434.46 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethyl-5-[5-[(4-methyl-1-piperazinyl)methyl]-1,3,4-oxadiazol-2-yl]-n-(4-tetrahydropyranyl)-4-pyrazolo[5,4-b]pyridinamine
  • 1-ethyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-n-tetrahydropyran-4-yl-pyrazolo[5,4-b]pyridin-4-amine
  • [1-ethyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[5,4-b]pyridin-4-yl]-tetrahydropyran-4-yl-amine
InChIKey PNIDTSWGLZJDPB-UHFFFAOYSA-N
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