49778328 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 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 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 26 27 27 29 3 4 18 25 28 29 9 11 12 9 17 13 29 37 13 12 14 15 16 17 30 15 19 20 31 23 24 32 21 22 21 33 22 34 35 36 26 38 27 39 40 41 42 28 43 28 44 45 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 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 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 2.866 10.251 2.366 3.366 6.3301 8.0622 9.0084 7.1962 8.0622 6.3301 9.0084 7.1962 7.1962 5.4641 6.3301 9.3191 9.592 3.732 4.5981 5.4641 3.732 4.5981 10.2976 8.6512 2 10.6082 8.9619 9.9404 6.3301 7.1962 5.7932 10.212 4.5981 6.001 3.1951 4.5981 7.7331 10.7116 8.0445 2.31 1.4631 1.69 11.2149 8.5478 5.7932 1.9466 4.0534 1.0806 2.8126 -4.0534 -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 0.4466 1.9466 1.4081 1.9462 2.4466 2.3586 2.8967 3.1029 -3.0534 1.0666 -1.3634 -0.5534 -0.6734 1.7566 0.1366 2.5666 -2.8634 0.9466 1.8183 2.9835 2.7566 1.9097 2.4864 3.3581 -2.7434 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 18 19 20 23 24 26 27 9 11 12 9 17 13 12 15 17 15 19 20 23 24 21 22 21 22 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 669 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 00000371E07B31004000000000000000000000000001600000003C608000000000005801F400001F04100000000C08C15F0EBFF19FCC180AA8033667F470C2802D311AB009D8B83874988868E2E09991942008689402C8C8271080C00E90000000000000002000000000000000000000000000 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]formamide 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]formamide 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]formamide 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]formamide 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]methanamide 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]formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H16FN3O3S/c1-29(27,28)18-8-4-14(5-9-18)16-10-19(24-13-26)21-23-11-20(25(21)12-16)15-2-6-17(22)7-3-15/h2-13H,1H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZMFSIXSNZXKQME-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 2021.05.07 409.08964072 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H16FN3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC=C(C=C4)F 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 2021.05.07 409.08964072 29 0 0 0 0 0 0 0 1 -1