16063768 -OEChem-04192419372D 81 85 0 1 0 0 0 0 0999 V2000 4.5981 3.4400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -4.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.4260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.6940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.9400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 1.9400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 3.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3385 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 3.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9221 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4823 1.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 1.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8759 1.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8759 3.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 3.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 2.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 2.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 5.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 -2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -2.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -2.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -0.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 -0.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 -1.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 2.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 45 1 0 0 0 0 3 45 1 0 0 0 0 4 45 1 0 0 0 0 5 46 1 0 0 0 0 6 46 1 0 0 0 0 7 46 1 0 0 0 0 8 21 1 0 0 0 0 8 62 1 0 0 0 0 9 29 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 12 22 2 0 0 0 0 12 26 1 0 0 0 0 13 25 1 0 0 0 0 13 29 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 6 0 0 0 15 20 1 0 0 0 0 15 21 1 1 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 26 63 1 0 0 0 0 27 30 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 0 0 0 0 30 36 1 0 0 0 0 30 39 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 40 2 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 41 2 0 0 0 0 36 76 1 0 0 0 0 37 42 1 0 0 0 0 37 74 1 0 0 0 0 38 43 2 0 0 0 0 38 75 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 42 44 2 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 81 1 0 0 0 0 M END > 16063768 > 1 > 1040 > 12 > 1 > 6 > AAADcfB/scAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB0AAAHwAACAAADijhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhqhgLYyCcYiMCPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > N-[6-[(4S,8aS)-4-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide > N-[6-[(4S,8aS)-4-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[6-[(4S,8aS)-4-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[6-[(4S,8aS)-4-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[6-[(4S,8aS)-4-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoranyl-2-methyl-phenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide > N-[6-[(4S,8aS)-4-methylol-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide > InChI=1S/C33H35F7N4O2/c1-19-10-23(34)7-8-26(19)27-14-29(43-16-24-6-5-9-44(24)25(17-43)18-45)41-15-28(27)42(4)30(46)31(2,3)20-11-21(32(35,36)37)13-22(12-20)33(38,39)40/h7-8,10-15,24-25,45H,5-6,9,16-18H2,1-4H3/t24-,25-/m0/s1 > UXCBTZDZHHGJKO-DQEYMECFSA-N > 6.8 > 652.26482351 > C33H35F7N4O2 > 652.6 > CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC5CCCN5C(C4)CO > CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@@H]5CCCN5[C@@H](C4)CO > 59.9 > 652.26482351 > 0 > 46 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 22 8 12 26 8 14 47 6 15 21 5 22 23 8 23 24 8 24 25 8 25 26 8 27 30 8 27 33 8 30 36 8 32 37 8 32 38 8 33 40 8 36 41 8 37 42 8 38 43 8 40 41 8 42 44 8 43 44 8 $$$$