N-[4-(4-Amino-7-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-...
C23H19F4N7O2
2731294-23-6 Copyright (C) 2025 ACS
 36 41  0  0  0  0  0  0  0  0999 V2000
   18.1490    5.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.6295    5.6873    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0882    7.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545    7.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882    5.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870    9.4105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    8.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8319    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4760    4.5925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8801    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2731294-23-6

> <cas.index.name>
Urea, N-[4-(4-amino-7-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-N′-[5-[1-(trifluoromethyl)cyclopropyl]-3-isoxazolyl]-

> <molecular.formula>
C23H19F4N7O2

> <molecular.weight>
501.44

> <boiling.point.predicted>
614.176±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.738±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.141±0.70    Most Acidic Temp: 25 °C

$$$$
