1H-Pyrazolo[4,3-c]pyridine-3,7-dicarboxamide, 1-[(4-fluorophenyl)methyl]-4,5,...
C30H31FN6O4
1816331-66-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  41 45 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.5558 4.9835 0.0 0
M  V30 2 C 3.8521 6.5052 0.0 0
M  V30 3 N 5.1582 5.6892 0.0 0
M  V30 4 O 2.4924 5.7823 0.0 0
M  V30 5 C 2.3807 7.8299 0.0 0
M  V30 6 C 9.1833 9.0122 0.0 0
M  V30 7 N 10.5170 8.2422 0.0 0
M  V30 8 O 9.1833 10.5522 0.0 0
M  V30 9 C 3.9845 12.1181 0.0 0
M  V30 10 O 5.0149 13.2625 0.0 0
M  V30 11 F 9.1767 0.0000 0.0 0
M  V30 12 C 15.8518 8.2422 0.0 0
M  V30 13 C 13.1843 12.8623 0.0 0
M  V30 14 O 15.8518 11.3223 0.0 0
M  V30 15 C 17.1854 10.5522 0.0 0
M  V30 16 C 5.4123 7.7241 0.0 0
M  V30 17 C 6.4427 8.8687 0.0 0
M  V30 18 N 6.1823 6.3905 0.0 0
M  V30 19 C 3.9058 8.0443 0.0 0 CFG=1
M  V30 20 C 7.8495 8.2422 0.0 0
M  V30 21 C 5.9668 10.3333 0.0 0
M  V30 22 N 7.6886 6.7107 0.0 0
M  V30 23 C 3.4299 9.5090 0.0 0
M  V30 24 N 4.4604 10.6534 0.0 0
M  V30 25 C 6.4610 3.7376 0.0 0
M  V30 26 C 5.8347 2.3308 0.0 0
M  V30 27 C 7.9926 3.8986 0.0 0
M  V30 28 C 6.7399 1.0849 0.0 0
M  V30 29 C 8.8978 2.6527 0.0 0
M  V30 30 C 8.2715 1.2459 0.0 0
M  V30 31 C 11.8506 9.0122 0.0 0
M  V30 32 C 13.1843 8.2422 0.0 0
M  V30 33 C 11.8506 10.5522 0.0 0
M  V30 34 C 14.5181 9.0122 0.0 0
M  V30 35 C 13.1843 11.3223 0.0 0
M  V30 36 C 14.5181 10.5522 0.0 0
M  V30 37 C 2.4782 12.4383 0.0 0
M  V30 38 C 1.8517 13.8451 0.0 0
M  V30 39 N 1.3337 11.4079 0.0 0
M  V30 40 C 0.3202 13.6842 0.0 0
M  V30 41 C 0.0000 12.1779 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 18
M  V30 2 1 1 25
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 19 2 CFG=1
M  V30 6 1 19 5 CFG=3
M  V30 7 1 6 7
M  V30 8 2 6 8
M  V30 9 1 6 20
M  V30 10 1 7 31
M  V30 11 2 9 10
M  V30 12 1 9 24
M  V30 13 1 9 37
M  V30 14 1 11 30
M  V30 15 1 12 34
M  V30 16 1 13 35
M  V30 17 1 14 15
M  V30 18 1 14 36
M  V30 19 2 16 17
M  V30 20 1 16 18
M  V30 21 1 16 19
M  V30 22 1 17 20
M  V30 23 1 17 21
M  V30 24 1 18 22
M  V30 25 1 19 23
M  V30 26 2 20 22
M  V30 27 1 21 24
M  V30 28 1 23 24
M  V30 29 2 25 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 2 27 29
M  V30 33 2 28 30
M  V30 34 1 29 30
M  V30 35 2 31 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 2 33 35
M  V30 39 2 34 36
M  V30 40 1 35 36
M  V30 41 2 37 38
M  V30 42 1 37 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 2 40 41
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1816331-66-4

> <cas.index.name>
1H-Pyrazolo[4,3-c]pyridine-3,7-dicarboxamide, 1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-, (7S)-

> <molecular.formula>
C30H31FN6O4

> <molecular.weight>
558.60

> <boiling.point.predicted>
782.9±60.0 °C    Press: 760 Torr

> <density.predicted>
1.37±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.73±0.70    Most Acidic Temp: 25 °C

$$$$
