7-[[6-[(Dimethylamino)methyl]-5-[(3S)-tetrahydro-3-furanyl]-2-pyridinyl]amino...
C27H27FN6O2
2628486-22-4 Copyright (C) 2024 ACS
 36 41  0  0  1  0  0  0  0  0999 V2000
    6.9300    7.7721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2995   11.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4286    3.4347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.4383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2559   10.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    6.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7642   10.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101   11.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    6.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9953    6.5261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9953    9.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4598    7.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6751    5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4598    8.5421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6044    5.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8195    3.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2842    4.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.4383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.4374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3185    2.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 26  1  0  0  0  0
  2 14  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 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 31  1  0  0  0  0
 30 31  2  0  0  0  0
 32 31  1  1  0  0  0
 32 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>
2628486-22-4

> <cas.index.name>
1H-Isoindol-1-one, 7-[[6-[(dimethylamino)methyl]-5-[(3S)-tetrahydro-3-furanyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-

> <molecular.formula>
C27H27FN6O2

> <molecular.weight>
486.54

> <density.predicted>
1.427±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.054±0.20    Most Acidic Temp: 25 °C

$$$$
