[2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-1-Ethyl-1H-Imidazo[4,5-C]Pyridin-7-Yl][(3S)-3-Amino-1-Pyrrolidinyl]Methanone

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Properties Simple | Detailed

Formula C15H18N8O2
IUPAC Name [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-imidazo[4,5-c]pyridin-1-ium-7-yl]-[(3s)-3-aminopyrrolidin-1-yl]methanone
Molecular Mass 342.356 g·mol−1
Heat of Formation 292.1 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 396.94 Å 3
Surface Area 334.6 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-imidazo[5,4-d]pyridinyl]-[(3s)-3-amino-1-pyrrolidinyl]methanone
  • [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-imidazo[5,4-d]pyridin-7-yl]-[(3s)-3-aminopyrrolidin-1-yl]methanone
  • [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]-[(3s)-3-aminopyrrolidin-1-yl]methanone
  • [2-(4-aminofurazan-3-yl)-1-ethyl-imidazo[5,4-d]pyridin-7-yl]-[(3s)-3-aminopyrrolidin-1-yl]methanone
InChIKey PHWHNHYZZNJPLB-QMMMGPOBSA-N
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