N-Allyl-4-Amino-1-(3-Pentyn-1-Yl)-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxamide

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Properties Simple | Detailed

Formula C15H17N5O
IUPAC Name n-allyl-4-amino-1-pent-3-ynyl-pyrazolo[3,4-b]pyridin-1-ium-2-ide-5-carboxamide
Molecular Mass 283.328 g·mol−1
Heat of Formation 325.4 ± 16.7 kJ·mol−1
Dipole Moment 0.92 ± 1.08 D
Volume 351.0 Å 3
Surface Area 317.09 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazolo(3,4-b)pyridine-5-carboxamide, 4-amino-1-(3-pentynyl)-n-2-propenyl-
  • 4-amino-1-pent-3-ynyl-n-prop-2-enyl-pyrazolo[4,5-e]pyridine-5-carboxamide
  • 4-amino-1-pent-3-ynyl-n-prop-2-enylpyrazolo[4,5-e]pyridine-5-carboxamide
  • ici 190,622
  • ici 190622
  • n-allyl-4-amino-1-pent-3-ynyl-5-pyrazolo[4,5-e]pyridinecarboxamide
  • n-allyl-4-amino-1-pent-3-ynyl-pyrazolo[4,5-e]pyridine-5-carboxamide
CAS Number(s)
  • 103586-12-5
InChIKey ZPOHUNITDKKDQD-UHFFFAOYSA-N
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