1-{6-Butoxy-5-[3-Ethyl-2-(1-Ethylazetidin-3-Yl)-7-Hydroxy-2H-Pyrazolo[4,3-D]Pyrimidin-5-Yl]Pyridin-3-Yl}Ethanone

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Properties Simple | Detailed

Formula C23H37N6O3+
IUPAC Name 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4h-pyrazolo[4,3-d]pyrimidine-1,3,3a,5,6,7a-hexaid-7-one
Molecular Mass 445.578 g·mol−1
Heat of Formation -118.3 ± 16.7 kJ·mol−1
Dipole Moment 11.29 ± 1.08 D
Volume 536.27 Å 3
Surface Area 449.08 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4h-pyrazolo[3,4-e]pyrimidin-7-one
  • 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethyl-3-azetidinyl)-4h-pyrazolo[3,4-e]pyrimidin-7-one
  • 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4h-pyrazolo[3,4-e]pyrimidin-7-one
InChIKey INLBUQIADGPECI-UHFFFAOYSA-N
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