(αR)-N-[3-[2-[(3-Methoxy-1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-1H-in...
C25H31N9O2
2091134-68-6 Copyright (C) 2025 ACS
 36 40  0  0  1  0  0  0  0  0999 V2000
   14.6134    8.1512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1534    8.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9234    9.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9234    6.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1534   10.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8089    4.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317    5.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0983    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0836    9.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5333    5.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0271    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3033    6.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3033    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8661    7.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8434    6.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2729    7.9619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8434    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6134    5.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8827    4.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4180    5.2495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2736    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0583    2.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5937    2.7126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8254    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    2.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    1.5064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4636    9.4850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2336   10.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2336    8.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7736   10.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7734    8.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5436    9.4850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  1  0  0  0
  3 31  1  0  0  0  0
  6 23  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  9 30  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <cas.rn>
2091134-68-6

> <cas.index.name>
1-Piperazineacetamide, N-[3-[2-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-1H-indol-7-yl]-α,4-dimethyl-, (αR)-

> <molecular.formula>
C25H31N9O2

> <molecular.weight>
489.57

> <density.predicted>
1.387±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.632±0.30    Most Acidic Temp: 25 °C

$$$$
