4-(Cyclohexylamino)-2-[[2-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-7H-py...
C24H27N7O2
2489220-49-5 Copyright (C) 2023 ACS
 33 37  0  0  0  0  0  0  0  0999 V2000
    3.0800    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494    9.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9848   10.4184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2892    6.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9141    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   10.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   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
    3.0800    4.0011    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
    2.3100    2.6673    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
    9.2400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7652    5.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7652    2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2298    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2298    3.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  3  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 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 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <cas.rn>
2489220-49-5

> <cas.index.name>
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-

> <molecular.formula>
C24H27N7O2

> <molecular.weight>
445.52

> <density.predicted>
1.37±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.39±0.50    Most Acidic Temp: 25 °C

$$$$
