67014798 -OEChem-05052406162D 63 67 0 1 0 0 0 0 0999 V2000 5.4641 -4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 1.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 -0.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 0.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0657 1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3754 1.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8504 0.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 0.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0780 1.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 23 1 0 0 0 0 4 63 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 7 15 2 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 8 46 1 0 0 0 0 9 21 2 0 0 0 0 9 25 1 0 0 0 0 10 25 2 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 15 19 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 23 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 20 45 1 0 0 0 0 21 28 1 0 0 0 0 22 31 2 0 0 0 0 22 32 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 29 1 0 0 0 0 24 49 1 0 0 0 0 26 30 2 0 0 0 0 26 53 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 34 2 0 0 0 0 28 54 1 0 0 0 0 29 33 2 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 30 55 1 0 0 0 0 31 36 1 0 0 0 0 31 56 1 0 0 0 0 32 37 2 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 36 38 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > 67014798 > 1 > 738 > 9 > 2 > 8 > AAADceB7oYAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB/gAAHwAYCAAADCjhnxY/sN7IEgCiAzZnZACShCsxgqAd2KA4ZJiIOOLA2dGE5AhqmALIyCcQgMAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > 3-[5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol > 3-[5-[2-(1-phenylethylamino)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-2-pyrazolo[3,4-b]pyridinyl]-1-propanol > 3-[5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol > 3-[5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol > 3-[5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol > 3-[5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol > InChI=1S/C28H25F3N6O/c1-18(19-7-3-2-4-8-19)33-27-32-12-11-24(34-27)23-16-21-17-37(13-6-14-38)36-26(21)35-25(23)20-9-5-10-22(15-20)28(29,30)31/h2-5,7-12,15-18,38H,6,13-14H2,1H3,(H,32,33,34) > XGTHLSGJKLPSEV-UHFFFAOYSA-N > 5.1 > 518.20419393 > C28H25F3N6O > 518.5 > CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC4=CN(N=C4N=C3C5=CC(=CC=C5)C(F)(F)F)CCCO > CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC4=CN(N=C4N=C3C5=CC(=CC=C5)C(F)(F)F)CCCO > 88.8 > 518.20419393 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 25 8 10 34 8 11 14 8 11 16 8 11 17 8 12 15 8 12 16 8 19 24 8 19 26 8 20 27 3 21 28 8 22 31 8 22 32 8 24 29 8 26 30 8 28 34 8 29 33 8 30 33 8 31 36 8 32 37 8 36 38 8 37 38 8 5 17 8 5 6 8 6 14 8 7 14 8 7 15 8 9 21 8 9 25 8 $$$$