53382842 -OEChem-03292403582D 50 52 0 1 0 0 0 0 0999 V2000 2.8660 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 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 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 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 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 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 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 2 28 1 0 0 0 0 3 19 1 0 0 0 0 3 29 1 0 0 0 0 4 18 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 21 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 17 33 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 34 1 0 0 0 0 22 26 1 0 0 0 0 22 37 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > 53382842 > 1 > 759 > 8 > 1 > 6 > AAADceB7OQAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHwAQAAAADQzBmA4zzoNABACYBiTWSACiCAAhIgAIiAEPbMiOpzLEsZuFMChlwBdY6O+46OyOgEAACAAAEAAAgAAQAAAgAAAAAAAAAA== > methyl 6-amino-5-cyano-1-(2,4-dimethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylate > 6-amino-5-cyano-1-(2,4-dimethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylic acid methyl ester > methyl 6-amino-5-cyano-1-(2,4-dimethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylate > methyl 6-amino-5-cyano-1-(2,4-dimethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylate > methyl 6-azanyl-5-cyano-1-(2,4-dimethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylate > 6-amino-5-cyano-1-(2,4-dimethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3-carboxylic acid methyl ester > InChI=1S/C22H20FN3O4/c1-28-13-8-9-18(19(10-13)29-2)26-12-16(22(27)30-3)20(15(11-24)21(26)25)14-6-4-5-7-17(14)23/h4-10,12,20H,25H2,1-3H3 > CEMSOSXVKOVQCD-UHFFFAOYSA-N > 3.5 > 409.14378429 > C22H20FN3O4 > 409.4 > COC1=CC(=C(C=C1)N2C=C(C(C(=C2N)C#N)C3=CC=CC=C3F)C(=O)OC)OC > COC1=CC(=C(C=C1)N2C=C(C(C(=C2N)C#N)C3=CC=CC=C3F)C(=O)OC)OC > 97.8 > 409.14378429 > 0 > 30 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 8 12 17 8 15 19 8 15 20 8 16 22 8 17 23 8 19 24 8 20 25 8 22 26 8 23 26 8 24 27 8 25 27 8 9 12 3 $$$$