58342082 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 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 3 4 4 5 5 5 6 6 7 8 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 19 19 19 20 20 22 22 22 23 23 24 24 25 26 27 27 27 28 28 28 25 28 21 7 9 10 6 7 13 21 37 8 9 12 14 15 29 11 30 16 22 16 31 17 18 17 32 18 33 34 35 36 20 21 23 24 27 38 39 40 26 41 25 42 26 43 44 45 46 47 48 49 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 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 14.6279 10.1279 4.5981 5.5443 10.1279 6.1279 4.5981 7.1279 5.5443 3.732 2.866 3.732 9.1279 7.6279 7.6279 2.866 8.6279 8.6279 11.6279 12.1279 10.6279 2 12.1279 13.1279 13.6279 13.1279 11.6279 15.1279 5.7369 3.732 3.732 7.3179 7.3179 2.3291 8.9379 8.9379 10.4379 2.31 1.4631 1.69 11.8179 13.4379 13.4379 11.091 11.3179 12.1648 15.6648 15.4379 14.591 -0.067 -0.933 1.299 -0.0057 0.799 0.799 0.299 0.799 1.6038 1.799 1.299 -0.201 0.799 -0.067 1.6651 0.299 -0.067 1.6651 -0.067 -0.933 -0.067 1.799 0.799 -0.933 -0.067 0.799 -1.799 0.799 2.1931 2.419 -0.821 -0.6039 2.202 -0.011 -0.6039 2.202 1.336 2.336 2.109 1.2621 1.336 -1.47 1.336 -1.489 -2.336 -2.109 0.489 1.336 1.109 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 6 7 8 8 10 11 12 13 13 14 15 19 19 20 23 24 25 7 9 10 6 7 9 12 14 15 11 16 16 17 18 17 18 20 23 24 26 25 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 534 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CC19F063FF69FCC1C00A8033777740082882D3532A009D8213E7CD88C6EF2C4BD9B9431286CD413C8E9A798DC92CEA8000100001000005000020000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-2-methyl-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-2-methyl-N-[4-(6-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-2-methyl-<I>N</I>-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-2-methyl-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-2-methyl-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-2-methyl-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H21N3O2/c1-15-4-11-22-25-21(14-26(22)13-15)17-5-7-18(8-6-17)24-23(27)20-10-9-19(28-3)12-16(20)2/h4-14H,1-3H3,(H,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 USKDMXHKHYXMJR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.16337692 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H21N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)OC)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.16337692 28 0 0 0 0 0 0 0 1 -1