4-[[2-(5-Chloro-2-fluorophenyl)-5-(1-methylethyl)-4-pyridinyl]amino]-N-[2-hyd...
C23H24ClFN4O3
1801333-55-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 8.0022 4.6201 0.0 0
M  V30 2 C 8.0022 1.5400 0.0 0
M  V30 3 C 9.3358 2.3101 0.0 0
M  V30 4 C 8.0022 0.0000 0.0 0
M  V30 5 C 10.6697 6.1601 0.0 0
M  V30 6 N 12.0033 6.9302 0.0 0
M  V30 7 O 10.6697 4.6201 0.0 0
M  V30 8 C 13.3370 6.1601 0.0 0
M  V30 9 C 14.6707 6.9302 0.0 0
M  V30 10 C 13.3370 4.6201 0.0 0
M  V30 11 O 14.6707 8.4702 0.0 0
M  V30 12 O 14.6707 3.8501 0.0 0
M  V30 13 F 1.3337 2.3101 0.0 0
M  V30 14 Cl 1.3337 8.4702 0.0 0
M  V30 15 C 6.6685 3.8501 0.0 0
M  V30 16 C 6.6685 2.3101 0.0 0
M  V30 17 C 5.3348 4.6201 0.0 0
M  V30 18 C 5.3348 1.5400 0.0 0
M  V30 19 C 4.0010 3.8501 0.0 0
M  V30 20 N 4.0010 2.3101 0.0 0
M  V30 21 C 8.0022 6.1601 0.0 0
M  V30 22 C 9.3358 6.9302 0.0 0
M  V30 23 C 6.6685 6.9302 0.0 0
M  V30 24 C 9.3358 8.4702 0.0 0
M  V30 25 C 6.6685 8.4702 0.0 0
M  V30 26 N 8.0022 9.2402 0.0 0
M  V30 27 C 2.6673 4.6201 0.0 0
M  V30 28 C 1.3337 3.8501 0.0 0
M  V30 29 C 2.6673 6.1601 0.0 0
M  V30 30 C 0.0000 4.6201 0.0 0
M  V30 31 C 1.3337 6.9302 0.0 0
M  V30 32 C 0.0000 6.1601 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 15
M  V30 2 1 1 21
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 2 16
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 5 22
M  V30 9 1 6 8
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 1 9 11
M  V30 13 1 10 12
M  V30 14 1 13 28
M  V30 15 1 14 31
M  V30 16 1 15 16
M  V30 17 2 15 17
M  V30 18 2 16 18
M  V30 19 1 17 19
M  V30 20 1 18 20
M  V30 21 2 19 20
M  V30 22 1 19 27
M  V30 23 1 21 22
M  V30 24 2 21 23
M  V30 25 2 22 24
M  V30 26 1 23 25
M  V30 27 1 24 26
M  V30 28 2 25 26
M  V30 29 2 27 28
M  V30 30 1 27 29
M  V30 31 1 28 30
M  V30 32 2 29 31
M  V30 33 2 30 32
M  V30 34 1 31 32
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1801333-55-0

> <cas.index.name>
3-Pyridinecarboxamide, 4-[[2-(5-chloro-2-fluorophenyl)-5-(1-methylethyl)-4-pyridinyl]amino]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-

> <molecular.formula>
C23H24ClFN4O3

> <molecular.weight>
458.91

> <boiling.point.predicted>
704.8±60.0 °C    Press: 760 Torr

> <density.predicted>
1.341±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.89±0.46    Most Acidic Temp: 25 °C

$$$$
