N-[3-Fluoro-4-[[3-[[(1R)-2-hydroxy-1-methylethyl]amino]-1H-pyrazolo[3,4-b]pyr...
C29H27F2N7O5
2412356-57-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  43 47 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 5.1457 6.7247 0.0 0
M  V30 2 N 3.1885 4.0739 0.0 0
M  V30 3 C 2.7126 2.6091 0.0 0 CFG=2
M  V30 4 C 3.7431 1.4647 0.0 0
M  V30 5 C 1.2063 2.2890 0.0 0
M  V30 6 O 3.2672 0.0000 0.0 0
M  V30 7 F 7.8131 5.1847 0.0 0
M  V30 8 N 10.4805 9.8048 0.0 0
M  V30 9 C 11.8142 9.0348 0.0 0
M  V30 10 O 11.8142 7.4947 0.0 0
M  V30 11 O 14.4816 7.4947 0.0 0
M  V30 12 C 14.4816 13.6549 0.0 0
M  V30 13 C 13.1479 14.4249 0.0 0
M  V30 14 C 15.8154 14.4249 0.0 0
M  V30 15 O 17.1490 12.1148 0.0 0
M  V30 16 F 21.1502 6.7247 0.0 0
M  V30 17 C 2.4782 6.7247 0.0 0
M  V30 18 C 3.8119 7.4947 0.0 0
M  V30 19 C 2.1580 5.2183 0.0 0
M  V30 20 C 1.1446 7.4947 0.0 0
M  V30 21 C 3.8119 9.0348 0.0 0
M  V30 22 N 0.6265 5.0573 0.0 0
M  V30 23 N 0.0000 6.4641 0.0 0
M  V30 24 N 1.1446 9.0348 0.0 0
M  V30 25 C 2.4782 9.8048 0.0 0
M  V30 26 C 6.4794 7.4947 0.0 0
M  V30 27 C 7.8131 6.7247 0.0 0
M  V30 28 C 6.4794 9.0348 0.0 0
M  V30 29 C 9.1467 7.4947 0.0 0
M  V30 30 C 7.8131 9.8048 0.0 0
M  V30 31 C 9.1467 9.0348 0.0 0
M  V30 32 C 13.1479 9.8048 0.0 0
M  V30 33 C 14.4816 9.0348 0.0 0
M  V30 34 C 13.1479 11.3448 0.0 0
M  V30 35 N 15.8154 9.8048 0.0 0
M  V30 36 N 14.4816 12.1148 0.0 0
M  V30 37 C 15.8154 11.3448 0.0 0
M  V30 38 C 17.1490 9.0348 0.0 0
M  V30 39 C 17.1490 7.4947 0.0 0
M  V30 40 C 18.4827 9.8048 0.0 0
M  V30 41 C 18.4827 6.7247 0.0 0
M  V30 42 C 19.8164 9.0348 0.0 0
M  V30 43 C 19.8164 7.4947 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 18
M  V30 2 1 1 26
M  V30 3 1 2 3
M  V30 4 1 2 19
M  V30 5 1 3 4
M  V30 6 1 3 5 CFG=1
M  V30 7 1 4 6
M  V30 8 1 7 27
M  V30 9 1 8 9
M  V30 10 1 8 31
M  V30 11 2 9 10
M  V30 12 1 9 32
M  V30 13 2 11 33
M  V30 14 1 12 13
M  V30 15 1 12 14
M  V30 16 1 12 36
M  V30 17 2 15 37
M  V30 18 1 16 43
M  V30 19 2 17 18
M  V30 20 1 17 19
M  V30 21 1 17 20
M  V30 22 1 18 21
M  V30 23 2 19 22
M  V30 24 1 20 23
M  V30 25 2 20 24
M  V30 26 2 21 25
M  V30 27 1 22 23
M  V30 28 1 24 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
M  V30 35 1 32 33
M  V30 36 2 32 34
M  V30 37 1 33 35
M  V30 38 1 34 36
M  V30 39 1 35 37
M  V30 40 1 35 38
M  V30 41 1 36 37
M  V30 42 2 38 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 2 40 42
M  V30 46 2 41 43
M  V30 47 1 42 43
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2412356-57-9

> <cas.index.name>
5-Pyrimidinecarboxamide, N-[3-fluoro-4-[[3-[[(1R)-2-hydroxy-1-methylethyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo-

> <molecular.formula>
C29H27F2N7O5

> <molecular.weight>
591.57

> <density.predicted>
1.493±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.98±0.40    Most Acidic Temp: 25 °C

$$$$
