N-[4-Fluoro-3-[[2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phe...
C24H19F4N7O
2769954-39-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 8.0023 9.7758 0.0 0
M  V30 2 N 10.6697 5.1557 0.0 0
M  V30 3 F 8.0023 12.8559 0.0 0
M  V30 4 C 1.3338 10.5458 0.0 0
M  V30 5 F 0.5638 9.2122 0.0 0
M  V30 6 F 0.0000 11.3159 0.0 0
M  V30 7 F 2.1038 11.8797 0.0 0
M  V30 8 N 13.3372 9.7758 0.0 0
M  V30 9 C 14.6708 10.5458 0.0 0
M  V30 10 C 16.0045 9.7758 0.0 0
M  V30 11 O 14.6708 12.0859 0.0 0
M  V30 12 C 17.3383 10.5458 0.0 0
M  V30 13 C 12.3449 0.0000 0.0 0
M  V30 14 C 6.6687 7.4658 0.0 0
M  V30 15 C 8.0023 8.2358 0.0 0
M  V30 16 C 6.6687 5.9257 0.0 0
M  V30 17 N 9.3360 7.4658 0.0 0
M  V30 18 N 8.0023 5.1557 0.0 0
M  V30 19 C 9.3360 5.9257 0.0 0
M  V30 20 C 5.3348 8.2358 0.0 0
M  V30 21 C 5.3348 9.7758 0.0 0
M  V30 22 C 4.0012 7.4658 0.0 0
M  V30 23 C 4.0012 10.5458 0.0 0
M  V30 24 C 2.6675 8.2358 0.0 0
M  V30 25 C 2.6675 9.7758 0.0 0
M  V30 26 C 9.3360 10.5458 0.0 0
M  V30 27 C 10.6697 9.7758 0.0 0
M  V30 28 C 9.3360 12.0859 0.0 0
M  V30 29 C 12.0035 10.5458 0.0 0
M  V30 30 C 10.6697 12.8559 0.0 0
M  V30 31 C 12.0035 12.0859 0.0 0
M  V30 32 C 10.6697 3.6157 0.0 0
M  V30 33 C 11.9157 2.7105 0.0 0
M  V30 34 C 9.4238 2.7105 0.0 0
M  V30 35 N 11.4397 1.2459 0.0 0
M  V30 36 N 9.8996 1.2459 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 15
M  V30 2 1 1 26
M  V30 3 1 2 19
M  V30 4 1 2 32
M  V30 5 1 3 28
M  V30 6 1 4 5
M  V30 7 1 4 6
M  V30 8 1 4 7
M  V30 9 1 4 25
M  V30 10 1 8 9
M  V30 11 1 8 29
M  V30 12 1 9 10
M  V30 13 2 9 11
M  V30 14 2 10 12
M  V30 15 1 13 35
M  V30 16 1 14 15
M  V30 17 2 14 16
M  V30 18 1 14 20
M  V30 19 2 15 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 2 18 19
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 2 22 24
M  V30 27 2 23 25
M  V30 28 1 24 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
M  V30 35 2 32 33
M  V30 36 1 32 34
M  V30 37 1 33 35
M  V30 38 2 34 36
M  V30 39 1 35 36
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2769954-39-2

> <cas.index.name>
2-Propenamide, N-[4-fluoro-3-[[2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]phenyl]-

> <molecular.formula>
C24H19F4N7O

> <molecular.weight>
497.45

> <density.predicted>
1.39±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.22±0.70    Most Acidic Temp: 25 °C

$$$$
