46942783 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 6 6 6 7 7 8 8 8 9 10 10 10 11 11 12 13 14 14 15 16 16 17 18 18 19 19 20 20 21 22 23 23 24 24 25 25 25 26 27 27 28 28 30 30 30 3 4 20 25 29 26 9 11 12 9 17 13 26 36 13 12 14 15 16 17 31 15 18 19 32 23 24 33 21 34 22 35 21 22 37 38 27 39 28 40 41 42 43 30 29 44 29 45 46 47 48 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 2.866 10.251 2.366 3.366 5.4641 8.0622 9.0084 7.1962 8.0622 6.3301 9.0084 7.1962 7.1962 5.4641 6.3301 9.3191 9.592 5.4641 4.5981 3.732 4.5981 3.732 10.2976 8.6512 2 6.3301 10.6082 8.9619 9.9404 6.3301 7.1962 5.7932 10.212 6.001 4.5981 7.7331 4.5981 3.1951 10.7116 8.0445 2.31 1.4631 1.69 11.2149 8.5478 5.7101 6.3301 6.9501 1.9466 4.0534 1.0806 2.8126 -2.5534 -0.0534 -1.3581 -2.5534 -1.0534 -0.0534 0.2513 0.4466 -1.5534 0.4466 -1.0534 1.2018 -0.5534 1.4466 -0.0534 1.4466 1.9466 0.4466 1.4081 1.9462 2.4466 -3.0534 2.3586 2.8967 3.1029 -4.0534 1.0666 -1.3634 -0.5534 1.7566 -0.6734 -2.8634 2.5666 0.1366 0.9466 1.8183 2.9835 2.7566 1.9097 2.4864 3.3581 -4.0534 -4.6734 -4.0534 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 6 7 7 9 10 10 11 13 14 14 16 16 18 19 20 20 23 24 27 28 9 11 12 9 17 13 12 15 17 15 18 19 23 24 21 22 21 22 27 28 29 29 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 712 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31004000000000000000000000000001600000003C608000000000005801F400001F04100000000C08C1DF0CBFF19FCC180AA80337777470C2802D311AB009D8383874988868E2E09991942008689402C8C8271080C00E90000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-8-imidazo[1,2-a]pyridinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[3-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-fluorophenyl)-6-(4-mesylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18FN3O3S/c1-14(27)25-20-11-17(15-5-9-19(10-6-15)30(2,28)29)13-26-21(12-24-22(20)26)16-3-7-18(23)8-4-16/h3-13H,1-2H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YPFNZWMJZRERKF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 423.10529078 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18FN3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 423.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC(=CN2C1=NC=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC(=CN2C1=NC=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 88.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 423.10529078 30 0 0 0 0 0 0 0 1 -1