4-[5-[(4-Cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1H-1,2,4-triazol-3-yl]-N...
C22H21F2N7O
2365193-22-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 4.4700 2.9015 0.0 0
M  V30 2 C 6.1453 0.0000 0.0 0
M  V30 3 C 13.7737 6.3387 0.0 0
M  V30 4 N 15.1074 5.5687 0.0 0
M  V30 5 O 13.7737 7.8787 0.0 0
M  V30 6 C 16.4410 6.3387 0.0 0
M  V30 7 C 17.7749 5.5687 0.0 0
M  V30 8 F 17.7749 4.0287 0.0 0
M  V30 9 F 19.1085 6.3387 0.0 0
M  V30 10 C 2.3120 4.4694 0.0 0
M  V30 11 C 1.6857 5.8762 0.0 0
M  V30 12 C 3.8437 4.3085 0.0 0
M  V30 13 C 2.5909 7.1223 0.0 0
M  V30 14 C 0.2210 6.3523 0.0 0
M  V30 15 C 4.7488 5.5544 0.0 0
M  V30 16 C 4.1225 6.9612 0.0 0
M  V30 17 N 1.6857 8.3681 0.0 0
M  V30 18 N 0.2210 7.8923 0.0 0
M  V30 19 C 1.4068 3.2236 0.0 0
M  V30 20 C 0.0000 2.5971 0.0 0
M  V30 21 C 1.2459 1.6920 0.0 0
M  V30 22 C 6.0016 2.7406 0.0 0
M  V30 23 N 7.0320 3.8850 0.0 0
M  V30 24 N 6.7716 1.4070 0.0 0
M  V30 25 C 8.4390 3.2587 0.0 0
M  V30 26 N 8.2780 1.7271 0.0 0
M  V30 27 C 9.7726 4.0287 0.0 0
M  V30 28 C 11.1063 3.2587 0.0 0
M  V30 29 C 9.7726 5.5687 0.0 0
M  V30 30 C 12.4401 4.0287 0.0 0
M  V30 31 C 11.1063 6.3387 0.0 0
M  V30 32 C 12.4401 5.5687 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 12
M  V30 2 1 1 22
M  V30 3 1 2 24
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 1 3 32
M  V30 7 1 4 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 7 9
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 10 19
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 2 12 15
M  V30 17 2 13 16
M  V30 18 1 13 17
M  V30 19 2 14 18
M  V30 20 1 15 16
M  V30 21 1 17 18
M  V30 22 1 19 20
M  V30 23 1 19 21
M  V30 24 1 20 21
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 2 25 26
M  V30 30 1 25 27
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 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2365193-22-0

> <cas.index.name>
Benzamide, 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1H-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)-

> <molecular.formula>
C22H21F2N7O

> <molecular.weight>
437.45

> <density.predicted>
1.53±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.21±0.46    Most Acidic Temp: 25 °C

$$$$
