2-[(2-{[1-(N,N-Dimethylglycyl)-5-Methoxy-1H-Indol-6-Yl]Amino}-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Amino]-6-Fluoro-N-Methylbenzamide

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Properties Simple | Detailed

Formula C27H27FN8O3
IUPAC Name 2-[[2-[[1-[2-(dimethylamino)acetyl]-5-methoxyindol-6-yl]amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-n-methylbenzamide
Molecular Mass 530.553 g·mol−1
Heat of Formation -155.8 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 609.19 Å 3
Surface Area 523.02 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey DESOLSKAHZZIGK-UHFFFAOYSA-N
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