3-[1-[2-[[(4S)-2-(3-Cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methyl-1H-in...
C48H46F2N10O5
2758659-09-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  65 76 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 11.7257 13.1623 0.0 0
M  V30 2 O 10.3921 13.9323 0.0 0
M  V30 3 O 13.3874 21.7543 0.0 0
M  V30 4 C 9.0584 11.6222 0.0 0
M  V30 5 C 23.1040 17.6443 0.0 0
M  V30 6 C 21.3895 18.6343 0.0 0
M  V30 7 O 7.8848 11.3424 0.0 0
M  V30 8 F 6.7940 1.5400 0.0 0
M  V30 9 F 2.5705 9.2073 0.0 0
M  V30 10 C 1.2459 15.7264 0.0 0
M  V30 11 C 12.0759 16.4942 0.0 0
M  V30 12 C 10.8624 15.5462 0.0 0
M  V30 13 C 10.6480 17.0711 0.0 0
M  V30 14 C 13.2205 15.4638 0.0 0
M  V30 15 N 14.7268 15.7840 0.0 0
M  V30 16 C 13.0594 13.9323 0.0 0
M  V30 17 C 15.4968 14.4503 0.0 0
M  V30 18 C 15.4968 17.1176 0.0 0
M  V30 19 C 14.4663 13.3058 0.0 0
M  V30 20 C 17.0368 14.4503 0.0 0
M  V30 21 C 17.0368 17.1176 0.0 0
M  V30 22 C 17.8068 15.7840 0.0 0
M  V30 23 C 12.8920 17.8003 0.0 0
M  V30 24 N 14.4283 17.9077 0.0 0
M  V30 25 N 12.3151 19.2282 0.0 0
M  V30 26 O 14.8008 19.4020 0.0 0
M  V30 27 C 13.4949 20.2180 0.0 0
M  V30 28 N 11.7257 11.6222 0.0 0
M  V30 29 C 10.3921 10.8522 0.0 0 CFG=1
M  V30 30 C 13.0594 10.8522 0.0 0
M  V30 31 C 10.3921 9.3122 0.0 0
M  V30 32 C 13.0594 9.3122 0.0 0
M  V30 33 C 9.2475 8.2816 0.0 0
M  V30 34 C 11.7257 8.5422 0.0 0
M  V30 35 N 9.8740 6.8748 0.0 0
M  V30 36 N 11.4056 7.0357 0.0 0
M  V30 37 C 19.3468 15.7840 0.0 0 CFG=3
M  V30 38 C 20.1168 17.1176 0.0 0
M  V30 39 C 20.1168 14.4503 0.0 0
M  V30 40 C 21.6569 17.1176 0.0 0
M  V30 41 C 21.6569 14.4503 0.0 0
M  V30 42 O 22.4269 15.7840 0.0 0
M  V30 43 N 7.7412 8.6019 0.0 0
M  V30 44 C 7.1147 10.0088 0.0 0
M  V30 45 C 6.5967 7.5714 0.0 0
M  V30 46 N 5.5832 9.8478 0.0 0
M  V30 47 C 5.2630 8.3414 0.0 0
M  V30 48 C 9.1040 5.5412 0.0 0
M  V30 49 C 9.8740 4.2073 0.0 0
M  V30 50 C 7.5640 5.5412 0.0 0
M  V30 51 C 9.1040 2.8737 0.0 0
M  V30 52 C 6.7940 4.2073 0.0 0
M  V30 53 C 7.5640 2.8737 0.0 0
M  V30 54 C 4.5528 10.9922 0.0 0
M  V30 55 C 3.0463 10.6720 0.0 0
M  V30 56 C 5.0286 12.4569 0.0 0
M  V30 57 C 2.0159 11.8164 0.0 0
M  V30 58 C 3.9982 13.6013 0.0 0
M  V30 59 C 2.4918 13.2811 0.0 0
M  V30 60 C 0.4759 11.8164 0.0 0
M  V30 61 N 1.2459 14.1864 0.0 0
M  V30 62 N 0.0000 13.2811 0.0 0
M  V30 63 C 9.8740 1.5400 0.0 0
M  V30 64 C 11.2077 0.7700 0.0 0
M  V30 65 C 9.8740 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 16
M  V30 3 1 1 28
M  V30 4 2 3 27
M  V30 5 1 29 4 CFG=3
M  V30 6 1 5 40
M  V30 7 1 6 40
M  V30 8 2 7 44
M  V30 9 1 8 53
M  V30 10 1 9 55
M  V30 11 1 10 61
M  V30 12 1 11 12
M  V30 13 1 11 13
M  V30 14 1 11 14
M  V30 15 1 11 23
M  V30 16 1 12 13
M  V30 17 1 14 15
M  V30 18 2 14 16
M  V30 19 1 15 17
M  V30 20 1 15 18
M  V30 21 1 16 19
M  V30 22 2 17 19
M  V30 23 1 17 20
M  V30 24 2 18 21
M  V30 25 2 20 22
M  V30 26 1 21 22
M  V30 27 1 22 37
M  V30 28 2 23 24
M  V30 29 1 23 25
M  V30 30 1 24 26
M  V30 31 1 25 27
M  V30 32 1 26 27
M  V30 33 1 28 29
M  V30 34 1 28 30
M  V30 35 1 29 31
M  V30 36 1 30 32
M  V30 37 2 31 33
M  V30 38 1 31 34
M  V30 39 1 32 34
M  V30 40 1 33 35
M  V30 41 1 33 43
M  V30 42 2 34 36
M  V30 43 1 35 36
M  V30 44 1 35 48
M  V30 45 1 37 38
M  V30 46 1 37 39
M  V30 47 1 38 40
M  V30 48 1 39 41
M  V30 49 1 40 42
M  V30 50 1 41 42
M  V30 51 1 43 44
M  V30 52 1 43 45
M  V30 53 1 44 46
M  V30 54 2 45 47
M  V30 55 1 46 47
M  V30 56 1 46 54
M  V30 57 2 48 49
M  V30 58 1 48 50
M  V30 59 1 49 51
M  V30 60 2 50 52
M  V30 61 2 51 53
M  V30 62 1 51 63
M  V30 63 1 52 53
M  V30 64 1 54 55
M  V30 65 2 54 56
M  V30 66 2 55 57
M  V30 67 1 56 58
M  V30 68 1 57 59
M  V30 69 1 57 60
M  V30 70 2 58 59
M  V30 71 1 59 61
M  V30 72 2 60 62
M  V30 73 1 61 62
M  V30 74 1 63 64
M  V30 75 1 63 65
M  V30 76 1 64 65
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 29)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2758659-09-3

> <cas.index.name>
1,2,4-Oxadiazol-5(2H)-one, 3-[1-[2-[[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-7-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-3-indolizinyl]cyclopropyl]-

> <molecular.formula>
C48H46F2N10O5

> <molecular.weight>
880.94

> <density.predicted>
1.56±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.08±0.20    Most Acidic Temp: 25 °C

$$$$
