52646428 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 16 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 3 3 4 4 4 5 5 6 6 6 7 8 9 10 10 11 11 12 12 13 13 14 15 15 15 16 16 17 17 18 19 19 20 20 21 21 22 23 23 24 24 25 25 26 27 27 28 29 29 29 19 23 18 26 29 7 8 11 8 9 7 18 31 9 10 12 13 15 14 30 16 17 14 32 33 34 35 36 20 37 21 38 19 39 40 22 41 22 42 43 24 25 26 44 27 45 28 28 46 47 48 49 50 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 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 3.9639 3.3426 6.5422 3.732 4.6783 4.9889 4.6783 3.732 5.2619 2.866 2.866 6.2619 2 2 2.866 6.7619 6.7619 4.3211 4.6318 7.7619 7.7619 8.2619 4.2746 5.2531 3.6067 5.5637 3.9174 4.8959 6.8529 2.866 5.5956 1.4631 1.4631 2.246 2.866 3.486 6.4519 6.4519 5.1787 5.0143 8.0719 8.0719 8.8819 5.6671 3 3.5033 5.0885 7.4422 7.0455 6.2636 1.4652 -0.4359 3.7787 -2.2292 -3.5339 -0.9739 -1.9245 -3.2292 -2.7292 -3.7292 -1.7292 -2.7292 -3.2292 -2.2292 -4.7292 -3.5952 -1.8632 -0.2296 0.7209 -3.5952 -1.8632 -2.7292 2.4157 2.6219 3.16 3.5724 4.1105 4.3168 4.7292 -1.1092 -0.8461 -3.5392 -1.9192 -4.7292 -5.3492 -4.7292 -4.1322 -1.3262 0.4289 1.2088 -4.1322 -1.3262 -2.7292 2.1605 3.0322 4.572 4.9061 4.5366 5.3185 4.9218 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 10 11 12 12 13 16 17 20 21 23 23 24 25 26 27 7 8 11 8 9 9 10 13 14 16 17 14 20 21 22 22 24 25 26 27 28 28 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 542 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 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 00000371E07B30004000000000000000000000000001600000003C608000000000005801F400001E04100000000C0CC5DF06BFB79FCC1C08A8033777740082882D313AB009D8383E7C988C6EE2E4B99B9430286CD513E8E82790C0800E00000004000000000000000800000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)sulfanyl-N-(8-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[(3-methoxyphenyl)thio]-N-(8-methyl-2-phenyl-3-imidazo[1,2-a]pyridinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)sulfanyl-<I>N</I>-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)sulfanyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-methoxyphenyl)sulfanyl-N-(8-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[(3-methoxyphenyl)thio]-N-(8-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H21N3O2S/c1-16-8-7-13-26-22(16)25-21(17-9-4-3-5-10-17)23(26)24-20(27)15-29-19-12-6-11-18(14-19)28-2/h3-14H,15H2,1-2H3,(H,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZXFFVWYYEONIDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.13544809 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H21N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CN2C1=NC(=C2NC(=O)CSC3=CC=CC(=C3)OC)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CN2C1=NC(=C2NC(=O)CSC3=CC=CC(=C3)OC)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.13544809 29 0 0 0 0 0 0 0 1 -1