644417 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 16 8 8 8 7 7 7 7 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 2 2 3 3 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 12 13 13 14 14 15 15 15 16 16 17 19 19 20 20 21 21 22 22 23 23 23 24 25 26 26 26 27 27 27 11 15 13 23 22 26 18 9 10 11 11 12 10 17 18 19 37 13 28 29 12 14 30 31 16 32 18 33 34 17 35 36 20 21 24 38 25 39 24 25 40 41 42 43 44 27 45 46 47 48 49 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 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 6.2619 6.2781 12.2619 8.2619 4.6783 4.6783 2.866 8.2619 4.9889 3.732 5.2619 3.732 5.9674 2.866 6.7619 2 2 7.7619 9.2619 9.7619 9.7619 11.2619 7.2566 10.7619 10.7619 12.7619 13.7619 4.3751 4.9684 6.5812 5.988 2.866 6.8695 6.1793 1.4631 1.4631 7.9519 9.4519 9.4519 7.1288 7.8633 7.3845 11.0719 11.0719 12.8695 12.1793 13.7619 14.3819 13.7619 0.2601 -2.6519 1.9921 0.2601 -0.5447 1.0648 -0.7399 1.9921 -1.4952 -0.2399 0.2601 0.7601 -1.7014 1.2601 1.1261 0.7601 -0.2399 1.1261 1.9921 1.1261 2.8581 1.9921 -2.8581 1.1261 2.8581 2.8581 2.8581 -1.5825 -2.1148 -1.614 -1.0818 1.8801 1.7367 1.3382 1.0701 -0.5499 2.529 0.5892 3.3951 -3.4648 -2.986 -2.2515 0.5892 3.3951 3.4687 3.0702 2.2381 2.8581 3.4781 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 10 12 14 16 19 19 20 21 22 22 10 11 11 12 10 17 12 14 16 17 20 21 24 25 24 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 462 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0004000000000000000000000000001600000003C400000000000005801FC00001E0410000000080CE5D706BFF6BFCC1408A8013777740082D82D7132B009D8203E7C988E6EE2C4B99B973828ECD413D8E827B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-2-[[3-(2-methoxyethyl)-2-imidazo[4,5-b]pyridinyl]thio]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]thio]-N-p-phenetyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H22N4O3S/c1-3-26-15-8-6-14(7-9-15)21-17(24)13-27-19-22-16-5-4-10-20-18(16)23(19)11-12-25-2/h4-10H,3,11-13H2,1-2H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XZDMWZWNGUGATF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.14126175 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H22N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CCOC)N=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CCOC)N=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.14126175 27 0 0 0 0 0 0 0 1 -1