N-[4-[[4-[(5-Cyclopentyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]phenyl]-N...
C26H25F3N8O
1639009-81-6 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  38 42 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 20.0055 4.4137 0.0 0
M  V30 2 N 14.6707 4.4137 0.0 0
M  V30 3 N 9.3358 1.3337 0.0 0
M  V30 4 C 8.0022 2.1037 0.0 0
M  V30 5 N 6.6685 1.3337 0.0 0
M  V30 6 O 8.0022 3.6437 0.0 0
M  V30 7 C 1.3337 1.3337 0.0 0
M  V30 8 F 0.5637 2.6675 0.0 0
M  V30 9 F 0.0000 0.5637 0.0 0
M  V30 10 F 2.1037 0.0000 0.0 0
M  V30 11 C 23.7766 3.1257 0.0 0
M  V30 12 C 22.7461 4.2702 0.0 0
M  V30 13 N 23.0066 1.7920 0.0 0
M  V30 14 C 21.3393 3.6437 0.0 0
M  V30 15 N 21.5003 2.1122 0.0 0
M  V30 16 C 25.3083 3.2867 0.0 0
M  V30 17 C 26.3387 2.1422 0.0 0
M  V30 18 C 26.0783 4.6204 0.0 0
M  V30 19 C 27.7456 2.7687 0.0 0
M  V30 20 C 27.5846 4.3002 0.0 0
M  V30 21 C 18.6718 3.6437 0.0 0
M  V30 22 N 17.3382 4.4137 0.0 0
M  V30 23 C 18.6718 2.1037 0.0 0
M  V30 24 C 16.0045 3.6437 0.0 0
M  V30 25 C 17.3382 1.3337 0.0 0
M  V30 26 N 16.0045 2.1037 0.0 0
M  V30 27 C 13.3370 3.6437 0.0 0
M  V30 28 C 12.0033 4.4137 0.0 0
M  V30 29 C 13.3370 2.1037 0.0 0
M  V30 30 C 10.6697 3.6437 0.0 0
M  V30 31 C 12.0033 1.3337 0.0 0
M  V30 32 C 10.6697 2.1037 0.0 0
M  V30 33 C 5.3348 2.1037 0.0 0
M  V30 34 C 4.0010 1.3337 0.0 0
M  V30 35 C 5.3348 3.6437 0.0 0
M  V30 36 C 2.6673 2.1037 0.0 0
M  V30 37 C 4.0010 4.4137 0.0 0
M  V30 38 C 2.6673 3.6437 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 14
M  V30 2 1 1 21
M  V30 3 1 2 24
M  V30 4 1 2 27
M  V30 5 1 3 4
M  V30 6 1 3 32
M  V30 7 1 4 5
M  V30 8 2 4 6
M  V30 9 1 5 33
M  V30 10 1 7 8
M  V30 11 1 7 9
M  V30 12 1 7 10
M  V30 13 1 7 36
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 11 16
M  V30 17 1 12 14
M  V30 18 1 13 15
M  V30 19 2 14 15
M  V30 20 1 16 17
M  V30 21 1 16 18
M  V30 22 1 17 19
M  V30 23 1 18 20
M  V30 24 1 19 20
M  V30 25 2 21 22
M  V30 26 1 21 23
M  V30 27 1 22 24
M  V30 28 2 23 25
M  V30 29 2 24 26
M  V30 30 1 25 26
M  V30 31 2 27 28
M  V30 32 1 27 29
M  V30 33 1 28 30
M  V30 34 2 29 31
M  V30 35 2 30 32
M  V30 36 1 31 32
M  V30 37 2 33 34
M  V30 38 1 33 35
M  V30 39 1 34 36
M  V30 40 2 35 37
M  V30 41 2 36 38
M  V30 42 1 37 38
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1639009-81-6

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

> <molecular.formula>
C26H25F3N8O

> <molecular.weight>
522.53

> <density.predicted>
1.464±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.86±0.70    Most Acidic Temp: 25 °C

$$$$
