5-Cyclopropyl-2-[1-(2-Fluorobenzyl)-1H-Pyrazolo[3,4-B]Pyridin-3-Yl]-4-Pyrimidinamine

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Properties Simple | Detailed

Formula C20H17FN6
IUPAC Name 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-ium-2-id-3-yl]pyrimidin-4-amine
Molecular Mass 360.388 g·mol−1
Heat of Formation 469.2 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 414.22 Å 3
Surface Area 368.35 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-amino-5-cyclopropylpyrimidin-2-yl)-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridine
  • 5-cyclopropyl-2-[1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-ylamine
  • 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[5,4-b]pyridinyl]-4-pyrimidinamine
  • 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
  • [5-cyclopropyl-2-[1-(2-fluorobenzyl)pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-yl]amine
  • bay 41-2272
InChIKey ATOAHNRJAXSBOR-UHFFFAOYSA-N
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