49786474 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 22 22 24 24 25 25 26 27 28 28 28 29 29 29 30 30 30 19 28 21 29 23 30 27 8 9 11 9 15 12 27 36 13 15 12 11 14 16 31 14 17 18 32 33 19 20 21 34 22 35 24 25 37 23 23 38 26 39 26 40 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 1 2 1 1 2 1 2 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 2.866 9.8547 8.519 4.5981 6.3301 7.2764 5.4641 7.2764 6.3301 4.5981 5.4641 5.4641 7.587 4.5981 7.86 3.732 8.5655 6.9192 2.866 3.732 8.8762 7.2298 8.2083 2 2.866 2 4.5981 2 10.5225 7.8512 5.4641 4.0611 8.48 8.9796 6.3125 6.001 4.269 6.8158 1.4631 2.866 1.4631 4.0611 1.69 1.4631 2.31 10.0611 10.9366 10.984 8.3126 7.4371 7.3897 -1.4256 2.1926 3.6813 -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 -0.4256 1.0744 1.9864 2.5245 2.7307 0.0744 1.5744 1.0744 -3.4256 -1.9256 1.4484 4.4256 0.6944 -1.7356 -0.9256 0.5744 1.4461 -3.2356 1.3844 2.986 -0.2356 2.1944 1.3844 -3.1156 -1.3886 -2.2356 -2.4625 1.0343 0.9869 1.8624 4.8396 4.887 4.0115 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 19 20 21 22 24 25 23 23 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 565 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 00000371E07B38000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033667F40082882D3132A009D8A03EFC988D6EE2C4B99B94302A6CD413CAE827B0D0F30EA0000100000840004000020000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(3,4-dimethoxyphenyl)-6-(2-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-(2-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-(2-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-(2-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-(2-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-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H21N3O4/c1-28-20-7-5-4-6-17(20)16-10-18(25-14-27)23-24-12-19(26(23)13-16)15-8-9-21(29-2)22(11-15)30-3/h4-14H,1-3H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OGRLBOHJSCZONK-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=C(C=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=CC=C4OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=CC=C4OC)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