(3-Chloro-2-fluorophenyl)[4-[[4-(4-ethyl-1-piperazinyl)-6-[(5-methyl-1H-pyraz...
C26H33ClFN9O
2702965-27-1 Copyright (C) 2024 ACS
 38 42  0  0  0  0  0  0  0  0999 V2000
   10.7801   10.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    5.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0202    7.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7902    9.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   10.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    9.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   10.6374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3048    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8602    7.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    9.3037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    6.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    9.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    6.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    7.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4002    7.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1702    9.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1702    6.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7102    9.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7102    6.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4802    7.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2401   10.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    9.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701   11.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    9.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301   11.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601   10.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0817    3.8080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238    2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4018    2.3016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0682    1.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   11.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   11.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   13.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   13.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   14.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   14.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  6 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <cas.rn>
2702965-27-1

> <cas.index.name>
Methanone, (3-chloro-2-fluorophenyl)[4-[[4-(4-ethyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]-1-piperidinyl]-

> <molecular.formula>
C26H33ClFN9O

> <molecular.weight>
542.05

> <boiling.point.predicted>
799.661±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.366±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.002±0.10    Most Acidic Temp: 25 °C

$$$$
