4-{2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-6-[(2R)-2-Amino-3-Phenylpropoxy]-1-Ethyl-1H-Imidazo[4,5-C]Pyridin-4-Yl}-2-Methyl-3-Butyn-2-Ol

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Properties Simple | Detailed

Formula C24H27N7O3
IUPAC Name 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-[(2r)-2-amino-3-phenylpropoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Molecular Mass 461.516 g·mol−1
Heat of Formation 324.9 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 555.75 Å 3
Surface Area 491.51 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-[(2r)-2-amino-3-phenyl-propoxy]-1-ethyl-imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol
  • 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-[(2r)-2-amino-3-phenylpropoxy]-1-ethyl-4-imidazo[4,5-c]pyridinyl]-2-methylbut-3-yn-2-ol
  • 4-[2-(4-aminofurazan-3-yl)-6-[(2r)-2-amino-3-phenyl-propoxy]-1-ethyl-imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol
InChIKey YFXZFROOGCONFB-MRXNPFEDSA-N
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