N-[3-(Difluoromethyl)-1-[trans-4-[[4-[[3-[1-(2,6-dioxo-3-piperidinyl)-2,3-dih...
C44H49F2N11O6
2432994-31-3 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  65 74 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 29.3939 8.2818 0.0 0
M  V30 2 C 24.1046 11.2829 0.0 0
M  V30 3 C 22.7709 10.5129 0.0 0
M  V30 4 C 21.4373 9.7429 0.0 0
M  V30 5 O 20.1034 10.5129 0.0 0
M  V30 6 C 26.0617 8.6320 0.0 0
M  V30 7 O 31.3112 8.7335 0.0 0
M  V30 8 O 35.2757 12.3032 0.0 0
M  V30 9 C 14.7686 7.4328 0.0 0
M  V30 10 N 5.4648 10.8700 0.0 0
M  V30 11 C 4.8385 9.4630 0.0 0
M  V30 12 O 5.7437 8.2172 0.0 0
M  V30 13 C 7.1401 13.7716 0.0 0
M  V30 14 F 8.0453 15.0175 0.0 0
M  V30 15 F 5.6085 13.9325 0.0 0
M  V30 16 C 28.1058 12.0529 0.0 0
M  V30 17 N 29.2502 11.0225 0.0 0
M  V30 18 C 26.7721 11.2829 0.0 0
M  V30 19 C 28.1058 13.5930 0.0 0
M  V30 20 C 28.6238 9.6155 0.0 0
M  V30 21 C 25.4383 12.0529 0.0 0
M  V30 22 N 27.0923 9.7764 0.0 0
M  V30 23 C 26.7721 14.3630 0.0 0
M  V30 24 C 25.4383 13.5930 0.0 0
M  V30 25 C 30.7566 11.3427 0.0 0 CFG=3
M  V30 26 C 31.7871 10.1981 0.0 0
M  V30 27 C 31.2325 12.8072 0.0 0
M  V30 28 N 33.2934 10.5183 0.0 0
M  V30 29 C 32.7388 13.1274 0.0 0
M  V30 30 C 33.7694 11.9830 0.0 0
M  V30 31 C 18.7698 9.7429 0.0 0
M  V30 32 C 18.7698 8.2028 0.0 0
M  V30 33 C 17.4361 10.5129 0.0 0
M  V30 34 C 17.4361 7.4328 0.0 0
M  V30 35 C 16.1023 9.7429 0.0 0
M  V30 36 N 16.1023 8.2028 0.0 0
M  V30 37 C 13.4349 8.2028 0.0 0 CFG=2
M  V30 38 C 12.1013 7.4328 0.0 0
M  V30 39 C 13.4349 9.7429 0.0 0
M  V30 40 C 10.7675 8.2028 0.0 0
M  V30 41 C 12.1013 10.5129 0.0 0
M  V30 42 C 10.7675 9.7429 0.0 0 CFG=2
M  V30 43 N 9.4338 10.5129 0.0 0
M  V30 44 C 8.0270 9.8866 0.0 0
M  V30 45 N 9.2729 12.0444 0.0 0
M  V30 46 C 6.9964 11.0310 0.0 0
M  V30 47 C 7.7664 12.3646 0.0 0
M  V30 48 C 3.3069 9.3021 0.0 0
M  V30 49 C 2.5369 7.9684 0.0 0
M  V30 50 C 2.2763 10.4465 0.0 0
M  V30 51 N 1.0304 8.2886 0.0 0
M  V30 52 N 3.0128 6.5037 0.0 0
M  V30 53 N 0.8695 9.8202 0.0 0
M  V30 54 C 0.0000 7.1441 0.0 0
M  V30 55 C 1.9823 5.3593 0.0 0
M  V30 56 C 0.4759 5.6795 0.0 0
M  V30 57 N 2.4582 3.8946 0.0 0
M  V30 58 C 2.4798 2.4103 0.0 0 CFG=1
M  V30 59 C 3.2014 2.8397 0.0 0
M  V30 60 C 4.7897 1.1564 0.0 0
M  V30 61 C 1.3649 1.5631 0.0 0
M  V30 62 C 3.4161 1.5189 0.0 0 CFG=2
M  V30 63 O 2.1068 0.6423 0.0 0
M  V30 64 H 1.0951 3.0847 0.0 0
M  V30 65 H 3.6705 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 20
M  V30 2 3 2 3
M  V30 3 1 2 21
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 31
M  V30 7 1 6 22
M  V30 8 2 7 26
M  V30 9 2 8 30
M  V30 10 1 9 36
M  V30 11 1 37 9 CFG=1
M  V30 12 1 10 11
M  V30 13 1 10 46
M  V30 14 2 11 12
M  V30 15 1 11 48
M  V30 16 1 13 14
M  V30 17 1 13 15
M  V30 18 1 13 47
M  V30 19 1 16 17
M  V30 20 1 16 18
M  V30 21 2 16 19
M  V30 22 1 17 20
M  V30 23 1 17 25
M  V30 24 2 18 21
M  V30 25 1 18 22
M  V30 26 1 19 23
M  V30 27 1 20 22
M  V30 28 1 21 24
M  V30 29 2 23 24
M  V30 30 1 25 26
M  V30 31 1 25 27
M  V30 32 1 26 28
M  V30 33 1 27 29
M  V30 34 1 28 30
M  V30 35 1 29 30
M  V30 36 1 31 32
M  V30 37 1 31 33
M  V30 38 1 32 34
M  V30 39 1 33 35
M  V30 40 1 34 36
M  V30 41 1 35 36
M  V30 42 1 37 38
M  V30 43 1 37 39
M  V30 44 1 38 40
M  V30 45 1 39 41
M  V30 46 1 40 42
M  V30 47 1 41 42
M  V30 48 1 42 43 CFG=3
M  V30 49 1 43 44
M  V30 50 1 43 45
M  V30 51 2 44 46
M  V30 52 2 45 47
M  V30 53 1 46 47
M  V30 54 2 48 49
M  V30 55 1 48 50
M  V30 56 1 49 51
M  V30 57 1 49 52
M  V30 58 2 50 53
M  V30 59 1 51 53
M  V30 60 1 51 54
M  V30 61 2 52 55
M  V30 62 2 54 56
M  V30 63 1 55 56
M  V30 64 1 55 57
M  V30 65 1 57 58
M  V30 66 1 57 59
M  V30 67 1 58 60
M  V30 68 1 58 61
M  V30 69 1 58 64 CFG=1
M  V30 70 1 59 62
M  V30 71 1 60 62
M  V30 72 1 61 63
M  V30 73 1 62 63
M  V30 74 1 62 65 CFG=3
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 37 42 58 62)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2432994-31-3

> <cas.index.name>
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-(difluoromethyl)-1-[trans-4-[[4-[[3-[1-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-4-yl]-2-propyn-1-yl]oxy]-1-piperidinyl]methyl]cyclohexyl]-1H-pyrazol-4-yl]-5-(1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl-

> <molecular.formula>
C44H49F2N11O6

> <molecular.weight>
865.93

> <density.predicted>
1.57±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.20±0.46    Most Acidic Temp: 25 °C

$$$$
