Formula |
C25H21F4N5O |
IUPAC Name |
1-[5-(4-amino-2,7-dimethyl-pyrrolo[2,3-d]pyrimidin-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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Elements |
H
C
N
O
F
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