49795586 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 52 53 54 55 8 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 6 1 1 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 4 5 6 6 6 7 7 8 8 8 9 9 10 11 11 11 12 13 14 15 15 16 16 17 18 19 19 20 20 21 21 22 23 23 24 24 26 26 28 29 29 29 30 30 30 31 31 31 32 32 32 18 29 22 30 25 31 27 32 28 9 10 12 10 17 13 28 39 15 17 13 12 14 16 33 14 34 19 20 18 21 35 24 22 36 23 37 26 38 25 25 40 27 41 27 42 43 44 45 46 47 48 49 50 51 52 53 54 55 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 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 52 53 54 55 3.732 10.7207 9.385 2 5.4641 7.1962 8.1424 6.3301 8.1424 7.1962 5.4641 6.3301 6.3301 5.4641 8.453 4.5981 8.726 3.732 9.4315 7.7852 4.5981 9.7422 8.0958 2.866 9.0744 3.732 2.866 5.4641 2.866 11.3886 8.7172 2 6.3301 4.9272 9.346 9.8456 7.1785 5.135 6.8671 7.6818 2.3291 3.732 4.9272 2.556 2.3291 3.176 10.9271 11.8026 11.85 9.1786 8.3031 8.2557 2.62 2 1.38 -1.4256 2.1926 3.6813 1.5744 -4.4256 -0.4256 -1.7303 -2.9256 -0.1208 -1.4256 -0.4256 0.0744 -1.9256 -1.4256 0.8297 0.0744 -0.9256 -0.4256 1.0359 1.574 1.0744 1.9864 2.5245 0.0744 2.7307 1.5744 1.0744 -3.4256 -1.9256 1.4484 4.4256 2.5744 0.6944 -1.7356 -0.9256 0.5744 1.4461 1.3844 -3.2356 2.986 -0.2356 2.1944 -3.1156 -1.3886 -2.2356 -2.4625 1.0343 0.9869 1.8624 4.8396 4.887 4.0115 2.5744 3.1944 2.5744 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 6 7 7 9 10 11 11 13 15 15 16 16 18 19 20 21 22 23 24 26 9 10 12 10 17 17 13 12 14 14 19 20 18 21 24 22 23 26 25 25 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 610 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033667F40082882D3132A009D8A03EFC988D6FE2C4B99B94302A6DD417CAE827B0F0FF0EA0000108000840004000021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)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-[6-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-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>-[6-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H23N3O5/c1-29-17-6-7-18(22(11-17)31-3)16-9-19(26-14-28)24-25-12-20(27(24)13-16)15-5-8-21(30-2)23(10-15)32-4/h5-14H,1-4H3,(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BVVGNRZFECOTBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.16377084 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H23N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.5 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)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)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.16377084 32 0 0 0 0 0 0 0 1 -1