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

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Properties Simple | Detailed

Formula C21H25N7O2S
IUPAC Name 5-[5-[(2,4-dimethylthiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethyl-n-tetrahydropyran-4-yl-pyrazolo[3,4-b]pyridin-4-amine
Molecular Mass 439.534 g·mol−1
Heat of Formation 151.0 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 507.91 Å 3
Surface Area 432.33 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethyl-n-(oxan-4-yl)pyrazolo[5,4-b]pyridin-4-amine
  • 5-[5-[(2,4-dimethyl-5-thiazolyl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethyl-n-(4-tetrahydropyranyl)-4-pyrazolo[5,4-b]pyridinamine
  • 5-[5-[(2,4-dimethylthiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethyl-n-tetrahydropyran-4-yl-pyrazolo[5,4-b]pyridin-4-amine
  • [5-[5-[(2,4-dimethylthiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethyl-pyrazolo[5,4-b]pyridin-4-yl]-tetrahydropyran-4-yl-amine
InChIKey AWDJJMXJUOHGLC-UHFFFAOYSA-N
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