59680344 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 8 9 10 11 12 13 13 14 14 14 15 15 16 16 18 18 19 19 20 21 21 22 22 23 24 26 26 27 28 28 28 29 29 29 30 30 30 23 28 24 29 25 30 17 11 12 16 9 11 10 17 33 9 10 13 12 15 18 31 19 32 17 21 22 20 34 26 35 27 36 20 37 40 24 38 23 39 25 25 27 41 42 43 44 45 46 47 48 49 50 51 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 2 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 3.7619 6.7619 4.7619 7.7619 3.732 4.6783 6.2619 6.2619 5.2619 6.7619 3.732 4.6783 6.7619 6.2619 7.7619 2.866 6.7619 2.866 7.7619 8.2619 6.7619 5.2619 4.7619 6.2619 5.2619 2 2 3.2619 7.7619 5.2619 4.8709 6.4519 5.6419 8.0719 2.866 2.866 8.0719 7.3819 4.9519 8.8819 1.4631 1.4631 3.7988 2.9519 2.7249 7.7619 8.3819 7.7619 5.7988 5.5719 4.7249 1.366 3.0981 3.0981 -0.366 -2.4641 -3.7688 -1.232 -2.9641 -2.9641 -2.0981 -3.4641 -2.1594 -3.8301 0.5 -2.0981 -1.9641 -0.366 -3.9641 -3.8301 -2.9641 1.366 0.5 1.366 2.232 2.232 -2.4641 -3.4641 2.232 3.0981 3.9641 -1.57 -4.3671 -1.232 -1.5611 -1.3441 -4.5841 -4.3671 1.366 -0.0369 -2.9641 -2.1541 -3.7741 2.542 2.769 1.922 2.4781 3.0981 3.7181 3.6541 4.501 4.2741 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 8 9 10 11 13 14 14 15 16 18 19 21 22 23 24 26 11 12 16 9 11 10 13 12 15 18 19 21 22 20 26 27 20 24 23 25 25 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 563 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033777740082882D3532A009D8213EFCD88D6FF2C4FD9B94312A6DD417CAE9A7BAFC9ECE20000108000240004000021000048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(2-imidazo[1,2-a]pyridinyl)phenyl]-3,4,5-trimethoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18/h4-14H,1-3H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ACXZLFQBVHEJGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 403.15320616 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H21N3O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 403.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3=CN4C=CC=CC4=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3=CN4C=CC=CC4=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 403.15320616 30 0 0 0 0 0 0 0 1 -1