68837098 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 7 7 7 7 7 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 2 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 10 10 11 11 11 12 13 14 14 15 15 18 18 19 19 20 20 20 21 21 22 22 25 25 25 26 26 26 27 27 27 28 28 28 17 23 28 24 9 10 14 9 16 16 24 34 17 20 35 24 26 43 12 13 17 12 13 15 29 30 16 31 18 19 21 32 22 33 25 36 37 23 38 23 39 40 41 42 27 44 45 46 47 48 49 50 51 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 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 7.1962 2 9.726 7.1962 8.1424 9.726 5.4641 11.226 7.1962 6.3301 5.4641 6.3301 5.4641 8.1424 4.5981 8.726 6.3301 3.732 4.5981 5.4641 2.866 3.732 2.866 10.226 4.5981 11.726 12.726 2 6.3301 4.9272 8.335 3.732 5.135 10.036 4.9272 6.0747 5.6762 2.3291 3.732 4.9081 4.0611 4.2881 11.536 11.1434 11.8336 12.726 13.346 12.726 1.38 2 2.62 2.25 -2.75 -1.982 0.25 -1.0547 -0.25 2.25 -1.116 -0.75 0.75 -0.75 -1.25 0.25 0.5547 -1.25 -0.25 1.75 -0.75 -2.25 3.25 -1.25 -2.75 -2.25 -1.116 3.75 -1.982 -1.982 -3.75 -1.87 0.56 1.1441 -0.13 -2.56 0.2869 1.94 3.1423 3.8326 -0.94 -3.37 4.2869 4.06 3.2131 -0.5791 -2.1941 -2.5926 -2.6021 -1.982 -1.362 -3.75 -4.37 -3.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 9 10 11 11 14 15 15 18 19 21 22 9 10 14 9 16 12 13 12 13 16 18 19 21 22 23 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 538 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 3 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 00000371E07BB0000000000000000000000000000001600000003C400000000000005801F000001E00100000000C0CC19F063FB69FCC1C00A8033777740082882D3732A009D8A1BE7CD88C6E72C4BDBB9431286CD713C8E9A798C8F08EA0000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)-5-imidazo[1,2-a]pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H23N5O3/c1-4-21-19(26)16-10-14(13-6-8-15(28-3)9-7-13)11-18-23-17(12-25(16)18)24-20(27)22-5-2/h6-12H,4-5H2,1-3H3,(H,21,26)(H2,22,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PAPGGRFCOQLJRU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.18008961 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H23N5O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)C1=CC(=CC2=NC(=CN12)NC(=O)NCC)C3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)C1=CC(=CC2=NC(=CN12)NC(=O)NCC)C3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.18008961 28 0 0 0 0 0 0 0 1 -1