N-[5-(2-Methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-3-piperidinylo...
C19H23N7O2
1375637-35-6 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 14.9174 1.2459 0.0 0
M  V30 2 C 15.8226 0.0000 0.0 0
M  V30 3 N 9.3359 5.0257 0.0 0
M  V30 4 C 19.2333 4.3815 0.0 0
M  V30 5 O 4.0011 5.0257 0.0 0
M  V30 6 C 13.1070 3.7376 0.0 0
M  V30 7 C 12.0765 4.8822 0.0 0
M  V30 8 N 12.3370 2.4040 0.0 0
M  V30 9 C 10.6696 4.2557 0.0 0
M  V30 10 N 10.8305 2.7241 0.0 0
M  V30 11 C 14.6385 3.8987 0.0 0
M  V30 12 C 15.5438 2.6527 0.0 0
M  V30 13 C 15.2650 5.3055 0.0 0
M  V30 14 N 17.0753 2.8138 0.0 0
M  V30 15 C 16.7966 5.4665 0.0 0
M  V30 16 C 17.7018 4.2206 0.0 0
M  V30 17 C 8.0023 4.2557 0.0 0
M  V30 18 N 6.6685 5.0257 0.0 0
M  V30 19 C 8.0023 2.7157 0.0 0
M  V30 20 C 5.3348 4.2557 0.0 0
M  V30 21 N 6.6685 1.9457 0.0 0
M  V30 22 C 5.3348 2.7157 0.0 0
M  V30 23 C 2.6675 4.2557 0.0 0 CFG=1
M  V30 24 C 2.6675 2.7157 0.0 0
M  V30 25 C 1.3337 5.0257 0.0 0
M  V30 26 C 1.3337 1.9457 0.0 0
M  V30 27 N 0.0000 4.2557 0.0 0
M  V30 28 C 0.0000 2.7157 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 12
M  V30 3 1 3 9
M  V30 4 1 3 17
M  V30 5 1 4 16
M  V30 6 1 5 20
M  V30 7 1 23 5 CFG=3
M  V30 8 2 6 7
M  V30 9 1 6 8
M  V30 10 1 6 11
M  V30 11 1 7 9
M  V30 12 1 8 10
M  V30 13 2 9 10
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 12 14
M  V30 17 2 13 15
M  V30 18 2 14 16
M  V30 19 1 15 16
M  V30 20 2 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 2 19 21
M  V30 24 2 20 22
M  V30 25 1 21 22
M  V30 26 1 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 1 27 28
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 23)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1375637-35-6

> <cas.index.name>
2-Pyrazinamine, N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-3-piperidinyloxy]-

> <molecular.formula>
C19H23N7O2

> <molecular.weight>
381.43

> <boiling.point.predicted>
575.3±50.0 °C    Press: 760 Torr

> <density.predicted>
1.293±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.34±0.10    Most Acidic Temp: 25 °C

$$$$
