(3S)-N-[3-[2-[[(1R)-2-Hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridi...
C26H34F3N5O3
2639957-39-2 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 40 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.6685 10.0102 0.0 0
M  V30 2 N 5.3348 3.0801 0.0 0
M  V30 3 C 4.0010 2.3100 0.0 0 CFG=2
M  V30 4 C 4.0010 0.7700 0.0 0
M  V30 5 C 2.6673 3.0801 0.0 0
M  V30 6 O 2.6673 0.0000 0.0 0
M  V30 7 N 12.0033 6.9301 0.0 0
M  V30 8 C 13.3369 7.7001 0.0 0
M  V30 9 O 13.3369 9.2402 0.0 0
M  V30 10 C 18.6396 6.5730 0.0 0
M  V30 11 C 19.5448 5.3271 0.0 0
M  V30 12 F 18.2989 4.4219 0.0 0
M  V30 13 F 20.4500 4.0812 0.0 0
M  V30 14 F 20.7907 6.2323 0.0 0
M  V30 15 C 6.6685 6.9301 0.0 0
M  V30 16 C 5.3348 7.7001 0.0 0
M  V30 17 C 6.6685 5.3901 0.0 0
M  V30 18 C 4.0010 6.9301 0.0 0
M  V30 19 C 5.3348 4.6201 0.0 0
M  V30 20 N 4.0010 5.3901 0.0 0
M  V30 21 C 8.0021 7.7001 0.0 0
M  V30 22 C 9.3358 6.9301 0.0 0
M  V30 23 C 8.0021 9.2402 0.0 0
M  V30 24 C 10.6696 7.7001 0.0 0
M  V30 25 C 9.3358 10.0102 0.0 0
M  V30 26 C 10.6696 9.2402 0.0 0
M  V30 27 N 2.6673 7.7001 0.0 0
M  V30 28 C 2.6673 9.2402 0.0 0
M  V30 29 C 1.3337 6.9301 0.0 0
M  V30 30 C 1.3337 10.0102 0.0 0
M  V30 31 C 0.0000 7.7001 0.0 0
M  V30 32 O 0.0000 9.2402 0.0 0
M  V30 33 N 14.6706 6.9301 0.0 0
M  V30 34 C 16.0776 7.5565 0.0 0
M  V30 35 C 14.8317 5.3986 0.0 0
M  V30 36 C 17.1080 6.4121 0.0 0 CFG=2
M  V30 37 C 16.3380 5.0784 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 23
M  V30 2 1 2 3
M  V30 3 1 2 19
M  V30 4 1 3 4
M  V30 5 1 3 5 CFG=1
M  V30 6 1 4 6
M  V30 7 1 7 8
M  V30 8 1 7 24
M  V30 9 2 8 9
M  V30 10 1 8 33
M  V30 11 1 10 11
M  V30 12 1 36 10 CFG=3
M  V30 13 1 11 12
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 1 15 16
M  V30 17 2 15 17
M  V30 18 1 15 21
M  V30 19 2 16 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 1 18 27
M  V30 23 2 19 20
M  V30 24 2 21 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 2 23 25
M  V30 28 2 24 26
M  V30 29 1 25 26
M  V30 30 1 27 28
M  V30 31 1 27 29
M  V30 32 1 28 30
M  V30 33 1 29 31
M  V30 34 1 30 32
M  V30 35 1 31 32
M  V30 36 1 33 34
M  V30 37 1 33 35
M  V30 38 1 34 36
M  V30 39 1 35 37
M  V30 40 1 36 37
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 3 36)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2639957-39-2

> <cas.index.name>
1-Pyrrolidinecarboxamide, N-[3-[2-[[(1R)-2-hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)-, (3S)-

> <molecular.formula>
C26H34F3N5O3

> <molecular.weight>
521.58

> <boiling.point.predicted>
732.5±60.0 °C    Press: 760 Torr

> <density.predicted>
1.301±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.59±0.70    Most Acidic Temp: 25 °C

$$$$
