N-[(2R)-1-(3-Cyano-1-Azetidinyl)-1-Oxo-2-Propanyl]-2-(6-Fluoro-1-Methyl-1H-Indazol-3-Yl)-4H-Pyrrolo[2,3-B]Pyrazine-7-Carboxamide

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Properties Simple | Detailed

Formula C22H19FN8O2
IUPAC Name n-[(1r)-2-(3-cyanoazetidin-1-yl)-1-methyl-2-oxo-ethyl]-2-(6-fluoro-1-methyl-indazol-1-ium-3a-id-3-yl)pyrrolo[2,3-b]pyrazine-1,4,5-triium-7-ide-7-carboxamide
Molecular Mass 446.437 g·mol−1
Heat of Formation 174.1 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 506.4 Å 3
Surface Area 432.5 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
InChIKey AGTYRXOJPORGGM-LLVKDONJSA-N
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