58169057 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 8 8 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 2 2 3 3 3 4 4 5 5 5 6 7 7 7 8 8 8 9 10 11 11 12 12 13 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 24 24 25 26 26 26 15 23 26 9 10 17 6 9 6 11 12 10 8 13 14 15 27 28 18 29 13 30 14 31 32 33 16 21 22 19 34 20 35 20 36 37 23 38 24 39 25 25 40 41 42 43 44 2 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 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 9.2619 12.7619 3.732 4.6783 6.2619 5.2619 8.2619 9.2619 3.732 4.6783 6.7619 6.7619 7.7619 7.7619 9.7619 10.7619 2.866 2.866 2 2 11.2619 11.2619 12.2619 12.2619 12.7619 13.7619 9.8445 9.1542 4.8709 6.4519 6.4519 8.0719 8.0719 2.866 2.866 1.4631 1.4631 10.9519 10.9519 12.5719 13.3819 13.7619 14.3819 13.7619 -0.933 -1.799 1.299 -0.0057 0.799 0.799 0.799 0.799 0.299 1.6038 1.6651 -0.067 1.6651 -0.067 -0.067 -0.067 1.799 -0.201 1.299 0.299 -0.933 0.799 -0.933 0.799 -0.067 -1.799 1.0111 1.4096 2.1931 2.202 -0.6039 2.202 -0.6039 2.419 -0.821 1.609 -0.011 -1.47 1.336 1.336 -0.067 -2.419 -1.799 -1.179 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 5 6 7 7 9 11 12 16 16 17 18 19 21 22 23 24 9 10 17 6 9 11 12 10 13 14 18 13 14 21 22 19 20 20 23 24 25 25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 475 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 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 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CC19F063FB69F0C1C00A803B677640082882D3532A009D8213E7CD88C6EF2C4BD9B9431286CC013C8E9A79AC8F08E40000100000000008000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]-1-(3-methoxyphenyl)ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18N2O2/c1-26-19-6-4-5-18(14-19)21(25)13-16-8-10-17(11-9-16)20-15-24-12-3-2-7-22(24)23-20/h2-12,14-15H,13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HDJFOBCFVLFYMU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.136827821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C(=O)CC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C(=O)CC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 43.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.136827821 26 0 0 0 0 0 0 0 1 -1