49778412 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 8 8 8 7 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 2 3 4 4 4 5 5 6 6 6 7 7 8 8 9 10 10 10 11 12 13 13 14 15 16 16 17 17 18 18 19 19 19 20 21 22 22 23 24 24 25 27 28 28 28 29 29 29 26 29 25 27 8 9 11 9 15 12 27 35 23 26 13 15 12 11 14 16 30 14 17 18 31 32 22 23 20 33 21 34 20 21 25 36 37 24 38 39 26 40 28 41 42 43 44 45 46 47 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 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 2.866 9.5832 6.3301 8.0622 9.0084 7.1962 4.5981 9.0084 8.0622 6.3301 7.1962 7.1962 9.3191 6.3301 9.592 5.4641 10.2976 8.6512 9.9404 10.6082 8.9619 4.5981 5.4641 3.732 10.251 3.732 6.3301 11.2296 2 7.1962 5.7932 10.212 10.7116 8.0445 7.7331 11.2149 8.5478 4.5981 6.001 3.1951 5.7932 11.3574 11.8362 11.1017 1.69 1.4631 2.31 1.5744 4.4256 -4.4256 -0.4256 -1.7303 -2.9256 1.5744 -0.1208 -1.4256 -0.4256 0.0744 -1.9256 0.8297 -1.4256 -0.9256 0.0744 1.0359 1.574 2.7307 1.9864 2.5245 -0.4256 1.0744 0.0744 3.6813 1.0744 -3.4256 3.8875 1.0744 0.6944 -1.7356 -0.9256 0.5744 1.4461 -3.2356 2.1143 2.986 -1.0456 1.3844 -0.2356 -3.1156 3.2808 4.0153 4.4942 1.6114 0.7644 0.5375 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 7 7 8 9 10 10 12 13 13 16 16 17 18 19 19 22 24 8 9 11 9 15 23 26 15 12 11 14 14 17 18 22 23 20 21 20 21 24 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 580 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C588000000000005801FC00001E00100000000C0CC19F063FF49FCC1C00A803B677F40082882D3532A009D8A13E7CD88C6EF2C4BD9B9431286CD413C8E9A798D8F08EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-acetylphenyl)-6-(6-methoxy-3-pyridyl)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-acetylphenyl)-6-(6-methoxy-3-pyridinyl)-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-acetylphenyl)-6-(6-methoxypyridin-3-yl)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-acetylphenyl)-6-(6-methoxypyridin-3-yl)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-ethanoylphenyl)-6-(6-methoxypyridin-3-yl)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-acetylphenyl)-6-(6-methoxy-3-pyridyl)imidazo[1,2-a]pyridin-8-yl]formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18N4O3/c1-14(28)15-3-5-16(6-4-15)20-11-24-22-19(25-13-27)9-18(12-26(20)22)17-7-8-21(29-2)23-10-17/h3-13H,1-2H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AXELKJMRWRGESP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.13789045 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CN=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CN=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 85.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.13789045 29 0 0 0 0 0 0 0 1 -1