49786250 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 49 50 51 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 6 1 1 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 8 8 9 9 9 10 11 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 21 22 23 24 24 25 26 26 27 28 29 29 29 30 30 30 26 51 27 28 7 8 10 7 15 11 27 35 11 13 15 10 12 14 31 12 32 17 18 16 19 33 20 34 22 36 23 37 24 38 25 26 22 23 28 39 40 25 41 42 43 44 29 30 45 46 47 48 49 50 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 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 48 49 50 51 2 3.732 7.8512 6.3301 7.2764 5.4641 6.3301 7.2764 4.5981 5.4641 5.4641 4.5981 7.587 3.732 7.86 3.732 6.9192 8.5655 2.866 2.866 8.2083 7.2298 8.8762 2 2 2.866 4.5981 8.519 4.5981 9.4975 5.4641 4.0611 8.48 4.269 6.001 6.3125 8.9796 2.866 6.8158 9.4828 1.4631 1.4631 3.4766 3.0781 3.9781 4.5981 5.2181 9.6254 10.1042 9.3696 2 3.0744 -2.9256 4.4256 -0.4256 -1.7303 -2.9256 -1.4256 -0.1208 -0.4256 0.0744 -1.9256 -1.4256 0.8297 0.0744 -0.9256 1.0744 1.574 1.0359 -0.4256 1.5744 2.7307 2.5245 1.9864 0.0744 1.0744 2.5744 -3.4256 3.6813 -4.4256 3.8875 0.6944 -1.7356 -0.9256 1.3844 -3.2356 1.4461 0.5744 -1.0456 2.986 2.1143 -0.2356 1.3844 2.4668 3.157 -4.4256 -5.0456 -4.4256 3.2808 4.0153 4.4942 3.6944 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 13 13 14 14 16 17 18 19 20 21 21 24 7 8 10 7 15 11 15 10 12 12 17 18 16 19 20 22 23 24 25 22 23 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 619 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 2 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 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100800000C0CE19F063FF09FCC1A00A803B777740082802D3512A009D821387CD8887EF2C09D919471086CD403C8D9A798C8F08EC0000200000000008000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(4-acetylphenyl)-6-[3-(hydroxymethyl)phenyl]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-acetylphenyl)-6-[3-(hydroxymethyl)phenyl]-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-acetylphenyl)-6-[3-(hydroxymethyl)phenyl]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-acetylphenyl)-6-[3-(hydroxymethyl)phenyl]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-ethanoylphenyl)-6-[3-(hydroxymethyl)phenyl]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-acetylphenyl)-6-(3-methylolphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H21N3O3/c1-15(29)18-6-8-19(9-7-18)23-12-25-24-22(26-16(2)30)11-21(13-27(23)24)20-5-3-4-17(10-20)14-28/h3-13,28H,14H2,1-2H3,(H,26,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MFQXFEYIOMGEJH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.15829154 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H21N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.4 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)C)C4=CC=CC(=C4)CO 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)C)C4=CC=CC(=C4)CO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.15829154 30 0 0 0 0 0 0 0 1 -1