4-{2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-1-Ethyl-7-[(3S)-3-Piperidinylmethoxy]-1H-Imidazo[4,5-C]Pyridin-4-Yl}-2-Methyl-3-Butyn-2-Ol

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Properties Simple | Detailed

Formula C21H27N7O3
IUPAC Name 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3s)-3-piperidyl]methoxy]imidazo[4,5-c]pyridine-3,5-diium-4-yl]-2-methyl-but-3-yn-2-ol
Molecular Mass 425.484 g·mol−1
Heat of Formation 224.3 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 510.42 Å 3
Surface Area 438.67 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3s)-3-piperidinyl]methoxy]-4-imidazo[4,5-c]pyridinyl]-2-methylbut-3-yn-2-ol
  • 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3s)-3-piperidyl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol
  • 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3s)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol
  • 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3s)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
  • 4-[2-(4-aminofurazan-3-yl)-1-ethyl-7-[[(3s)-3-piperidyl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol
InChIKey KGPGFQWBCSZGEL-ZDUSSCGKSA-N
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