N-[(1R,2S)-2-Fluorocyclopropyl]-N′-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-...
C19H19F2N7O3
2641636-52-2 Copyright (C) 2025 ACS
 31 35  0  0  1  0  0  0  0  0999 V2000
   10.3508    5.9581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153    6.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9599    5.4036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1355    7.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    9.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0752    4.5288    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6684    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2063    6.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9604    9.1465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3674    8.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4244    5.8794    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9308    5.5592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4550    7.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
 29  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
 30  8  1  6  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <cas.rn>
2641636-52-2

> <cas.index.name>
Urea, N-[(1R,2S)-2-fluorocyclopropyl]-N′-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-

> <molecular.formula>
C19H19F2N7O3

> <molecular.weight>
431.40

> <density.predicted>
1.726±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.740±0.46    Most Acidic Temp: 25 °C

$$$$
