1-[3-[7-(Difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quino...
C27H32F2N6O2
1936421-41-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 42 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.4647 8.4562 0.0 0
M  V30 2 C 1.7849 9.9625 0.0 0
M  V30 3 O 0.0000 7.9803 0.0 0
M  V30 4 C 12.1397 5.6985 0.0 0
M  V30 5 F 13.6797 5.6985 0.0 0
M  V30 6 F 11.3697 4.3647 0.0 0
M  V30 7 C 17.2955 10.0410 0.0 0
M  V30 8 C 6.7497 7.0321 0.0 0
M  V30 9 C 5.2182 6.8712 0.0 0
M  V30 10 N 7.3762 5.6252 0.0 0
M  V30 11 C 4.8980 5.3648 0.0 0
M  V30 12 C 4.0738 7.9016 0.0 0
M  V30 13 N 6.2316 4.5948 0.0 0
M  V30 14 C 3.4333 4.8889 0.0 0
M  V30 15 N 2.6091 7.4258 0.0 0
M  V30 16 C 2.2889 5.9193 0.0 0
M  V30 17 N 7.5197 8.3658 0.0 0
M  V30 18 C 9.0597 8.3658 0.0 0
M  V30 19 C 6.7497 9.6994 0.0 0
M  V30 20 C 9.8297 9.6994 0.0 0
M  V30 21 C 9.8297 7.0321 0.0 0
M  V30 22 C 7.5197 11.0332 0.0 0
M  V30 23 C 11.3697 9.6994 0.0 0
M  V30 24 C 9.0597 11.0332 0.0 0
M  V30 25 C 11.3697 7.0321 0.0 0
M  V30 26 C 12.1397 8.3658 0.0 0
M  V30 27 C 6.3927 3.0632 0.0 0
M  V30 28 C 5.1467 2.1580 0.0 0
M  V30 29 C 7.7995 2.4368 0.0 0
M  V30 30 C 5.3078 0.6265 0.0 0
M  V30 31 C 7.9605 0.9052 0.0 0
M  V30 32 O 6.7146 0.0000 0.0 0
M  V30 33 C 13.6797 8.3658 0.0 0
M  V30 34 C 14.5850 9.6117 0.0 0
M  V30 35 C 14.5850 7.1199 0.0 0
M  V30 36 N 16.0497 9.1358 0.0 0
M  V30 37 N 16.0497 7.5958 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 15
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 4 25
M  V30 7 1 7 36
M  V30 8 1 8 9
M  V30 9 2 8 10
M  V30 10 1 8 17
M  V30 11 2 9 11
M  V30 12 1 9 12
M  V30 13 1 10 13
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 1 12 15
M  V30 17 1 13 27
M  V30 18 1 14 16
M  V30 19 1 15 16
M  V30 20 1 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 2 18 21
M  V30 24 1 19 22
M  V30 25 2 20 23
M  V30 26 1 20 24
M  V30 27 1 21 25
M  V30 28 1 22 24
M  V30 29 1 23 26
M  V30 30 2 25 26
M  V30 31 1 26 33
M  V30 32 1 27 28
M  V30 33 1 27 29
M  V30 34 1 28 30
M  V30 35 1 29 31
M  V30 36 1 30 32
M  V30 37 1 31 32
M  V30 38 2 33 34
M  V30 39 1 33 35
M  V30 40 1 34 36
M  V30 41 2 35 37
M  V30 42 1 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1936421-41-8

> <cas.index.name>
Ethanone, 1-[3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1,4,6,7-tetrahydro-1-(tetrahydro-2H-pyran-4-yl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-

> <molecular.formula>
C27H32F2N6O2

> <molecular.weight>
510.58

> <boiling.point.predicted>
788.2±60.0 °C    Press: 760 Torr

> <density.predicted>
1.43±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
1.90±0.20    Most Basic Temp: 25 °C

$$$$
