49795178 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 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 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 9 10 10 10 11 12 13 13 14 15 16 16 17 17 18 18 19 20 20 21 21 22 22 24 24 25 25 27 28 28 28 29 29 29 30 30 30 19 28 23 29 26 30 27 8 9 11 9 15 12 27 36 13 15 12 11 14 16 31 14 17 18 32 33 20 21 19 34 22 35 23 24 37 25 38 23 39 26 40 26 41 42 43 44 45 46 47 48 49 50 51 1 1 1 1 1 1 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 2 1 1 1 2 1 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 11.5867 10.251 2.866 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 5.4641 4.5981 8.9619 9.9404 4.5981 3.732 3.732 6.3301 12.2546 9.5832 2 7.1962 5.7932 10.212 10.7116 8.0445 7.7331 6.001 4.5981 8.5478 4.5981 3.1951 5.7932 11.7931 12.6686 12.716 10.0447 9.1691 9.1217 1.69 1.4631 2.31 2.1926 3.6813 1.5744 -4.4256 -0.4256 -1.7303 -2.9256 -0.1208 -1.4256 -0.4256 0.0744 -1.9256 0.8297 -1.4256 -0.9256 0.0744 1.0359 1.574 1.9864 1.0744 -0.4256 2.5245 2.7307 1.5744 0.0744 1.0744 -3.4256 1.4484 4.4256 1.0744 0.6944 -1.7356 -0.9256 0.5744 1.4461 -3.2356 1.3844 -1.0456 2.986 2.1944 -0.2356 -3.1156 1.0343 0.9869 1.8624 4.8396 4.887 4.0115 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 5 5 5 6 6 8 9 10 10 12 13 13 16 16 17 18 19 20 21 22 24 25 8 9 11 9 15 15 12 11 14 14 17 18 20 21 19 22 23 24 25 23 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 557 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033667F40082882D3132A009D8A03EFC988D6EE2C4B99B94302A6CD413CAE827B0D0F30EA0000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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/C23H21N3O4/c1-28-18-7-4-15(5-8-18)17-10-19(25-14-27)23-24-12-20(26(23)13-17)16-6-9-21(29-2)22(11-16)30-3/h4-14H,1-3H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KSLGHTLCKVSWDQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.15320616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H21N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=C(C=C4)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=C(C=C4)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.15320616 30 0 0 0 0 0 0 0 1 -1