N-[2-[[5-Amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-1H-pyrazol-4-...
C26H22F2N6O4S
2055918-71-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  39 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 12.8556 4.6245 0.0 0
M  V30 2 O 12.6947 6.1560 0.0 0
M  V30 3 N 20.7090 2.8137 0.0 0
M  V30 4 S 21.3353 4.2205 0.0 0 VAL=6
M  V30 5 C 21.9616 5.6275 0.0 0
M  V30 6 O 19.9285 4.8470 0.0 0
M  V30 7 O 22.7421 3.5942 0.0 0
M  V30 8 C 19.4562 0.0000 0.0 0
M  V30 9 N 9.6692 5.6598 0.0 0
M  V30 10 C 7.7000 0.2820 0.0 0
M  V30 11 O 3.0800 2.9493 0.0 0
M  V30 12 F 0.0000 2.9493 0.0 0
M  V30 13 F 4.6200 5.6167 0.0 0
M  V30 14 C 16.7406 3.7376 0.0 0
M  V30 15 C 16.1143 2.3308 0.0 0
M  V30 16 N 15.5962 4.7681 0.0 0
M  V30 17 C 18.2723 3.8987 0.0 0
M  V30 18 C 14.5827 2.4917 0.0 0
M  V30 19 C 17.0195 1.0849 0.0 0
M  V30 20 C 14.2626 3.9981 0.0 0
M  V30 21 C 19.1773 2.6528 0.0 0
M  V30 22 C 18.5510 1.2459 0.0 0
M  V30 23 C 11.6098 3.7193 0.0 0
M  V30 24 C 10.1451 4.1951 0.0 0
M  V30 25 C 11.6098 2.1793 0.0 0
M  V30 26 N 9.2400 2.9493 0.0 0
M  V30 27 N 10.1451 1.7034 0.0 0
M  V30 28 C 7.7000 2.9493 0.0 0
M  V30 29 C 6.9300 1.6156 0.0 0
M  V30 30 C 6.9300 4.2830 0.0 0
M  V30 31 C 5.3900 1.6156 0.0 0
M  V30 32 N 5.3900 4.2830 0.0 0
M  V30 33 C 4.6200 2.9493 0.0 0
M  V30 34 C 2.3100 4.2830 0.0 0
M  V30 35 C 0.7700 4.2830 0.0 0
M  V30 36 C 3.0800 5.6167 0.0 0
M  V30 37 C 0.0000 5.6167 0.0 0
M  V30 38 C 2.3100 6.9503 0.0 0
M  V30 39 C 0.7700 6.9503 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 20
M  V30 3 1 1 23
M  V30 4 1 3 4
M  V30 5 1 3 21
M  V30 6 1 4 5
M  V30 7 2 4 6
M  V30 8 2 4 7
M  V30 9 1 8 22
M  V30 10 1 9 24
M  V30 11 1 10 29
M  V30 12 1 11 33
M  V30 13 1 11 34
M  V30 14 1 12 35
M  V30 15 1 13 36
M  V30 16 1 14 15
M  V30 17 1 14 16
M  V30 18 2 14 17
M  V30 19 1 15 18
M  V30 20 2 15 19
M  V30 21 1 16 20
M  V30 22 1 17 21
M  V30 23 2 18 20
M  V30 24 1 19 22
M  V30 25 2 21 22
M  V30 26 2 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 2 25 27
M  V30 30 1 26 27
M  V30 31 1 26 28
M  V30 32 1 28 29
M  V30 33 2 28 30
M  V30 34 2 29 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 2 32 33
M  V30 38 2 34 35
M  V30 39 1 34 36
M  V30 40 1 35 37
M  V30 41 2 36 38
M  V30 42 2 37 39
M  V30 43 1 38 39
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2055918-71-1

> <cas.index.name>
Methanesulfonamide, N-[2-[[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-1H-pyrazol-4-yl]carbonyl]-5-methyl-1H-indol-6-yl]-

> <molecular.formula>
C26H22F2N6O4S

> <molecular.weight>
552.55

> <boiling.point.predicted>
763.5±70.0 °C    Press: 760 Torr

> <density.predicted>
1.52±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.88±0.30    Most Acidic Temp: 25 °C

$$$$
