46948400 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 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 6 1 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 9 9 9 10 11 12 12 13 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 26 27 28 28 28 29 29 29 25 29 26 27 7 8 10 8 14 11 27 35 12 14 11 10 13 15 30 13 16 17 31 32 19 20 18 33 21 34 22 26 23 36 24 37 22 38 39 25 40 25 41 28 42 43 44 45 46 47 48 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 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 48 2.866 12.2546 6.3301 8.0622 9.0084 7.1962 9.0084 8.0622 6.3301 7.1962 7.1962 9.3191 6.3301 9.592 5.4641 10.2976 8.6512 10.6082 4.5981 5.4641 8.9619 9.9404 3.732 4.5981 3.732 11.5867 6.3301 11.8974 2 7.1962 5.7932 10.212 10.7116 8.0445 7.7331 4.5981 6.001 8.5478 10.133 3.1951 4.5981 5.7932 12.4867 12.09 11.3081 1.69 1.4631 2.31 2.2156 2.0895 -3.7844 0.2156 -1.0891 -2.2844 0.5204 -0.7844 0.2156 0.7156 -1.2844 1.4709 -0.7844 -0.2844 0.7156 1.6771 2.2152 2.6276 0.2156 1.7156 3.1657 3.3719 0.7156 2.2156 1.7156 2.8338 -2.7844 3.7844 1.7156 1.3356 -1.0944 -0.2844 1.2156 2.0873 -2.5944 -0.4044 2.0256 3.6272 3.9612 0.4056 2.8356 -2.4744 3.5918 4.3737 3.977 2.2526 1.4056 1.1787 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 8 9 9 11 12 12 15 15 16 17 18 19 20 21 23 24 7 8 10 8 14 14 11 10 13 13 16 17 19 20 18 21 22 23 24 22 25 25 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 578 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A803B677F40082882D3532A009D8A13E7CD88C6EF2C4BD9B9431286CD413C8E9A798C9F09EA0000200000000004000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(3-acetylphenyl)-6-(4-methoxyphenyl)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-(3-acetylphenyl)-6-(4-methoxyphenyl)-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-(3-acetylphenyl)-6-(4-methoxyphenyl)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-(3-acetylphenyl)-6-(4-methoxyphenyl)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-(3-ethanoylphenyl)-6-(4-methoxyphenyl)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-(3-acetylphenyl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H19N3O3/c1-15(28)17-4-3-5-18(10-17)22-12-24-23-21(25-14-27)11-19(13-26(22)23)16-6-8-20(29-2)9-7-16/h3-14H,1-2H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RRUJAQSPPOZSAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 72.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.14264148 29 0 0 0 0 0 0 0 1 -1