5-[[5-[2-[[(1R,2R)-2-Aminocyclobutyl]oxy]-6-methoxyphenyl]-1H-pyrazol-3-yl]am...
C19H19N7O2
2871057-47-3 Copyright (C) 2025 ACS
 28 31  0  0  1  0  0  0  0  0999 V2000
    3.0800    3.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    8.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   10.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2358    7.9337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8631    5.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2701    4.8019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    7.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    7.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    5.0126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    7.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    5.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.2575    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7086    0.7700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8225    1.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6426    7.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8035    5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    8.2126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2105    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2954    7.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4564    6.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
 19  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
 20  5  1  6  0  0  0
  6  7  3  0  0  0  0
  6 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
> <cas.rn>
2871057-47-3

> <cas.index.name>
2-Pyrazinecarbonitrile, 5-[[5-[2-[[(1R,2R)-2-aminocyclobutyl]oxy]-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]-

> <molecular.formula>
C19H19N7O2

> <molecular.weight>
377.40

> <boiling.point.predicted>
610.325±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.431±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.423±0.10    Most Acidic Temp: 25 °C

$$$$
