1-[5-(4-Amino-2,7-Dimethyl-7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)-2,3-Dihydro-1H-Indol-1-Yl]-2-[3-Fluoro-5-(Trifluoromethyl)Phenyl]Ethanone

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Properties Simple | Detailed

Formula C25H21F4N5O
IUPAC Name 1-[5-(4-amino-2,7-dimethyl-pyrrolo[2,3-d]pyrimidin-7-ium-5-yl)indolin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Molecular Mass 483.461 g·mol−1
Heat of Formation -667.2 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 531.13 Å 3
Surface Area 464.74 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey MXBMIZHUPORZGB-UHFFFAOYSA-N
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