Formula |
C19H16F2N8 |
IUPAC Name |
3-[[4-[1-(2,2-difluoroethyl)-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile |
Molecular Mass |
394.381 g·mol−1 |
Heat of Formation |
259.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.50 ± 1.08 D |
Volume |
438.65 Å 3 |
Surface Area |
362.05 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-0.60 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HFYMVDKBZONUOJ-UHFFFAOYSA-N |
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Elements |
H
C
N
F
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