60282366 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 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 1 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 8 9 9 10 11 11 12 12 12 13 13 13 14 15 16 16 18 18 19 20 20 20 21 22 23 23 23 24 24 25 25 25 26 26 26 27 27 15 25 19 26 17 8 10 11 7 8 9 17 32 9 10 16 28 29 30 18 23 14 15 20 14 17 21 31 19 22 33 22 34 21 24 35 36 37 38 39 40 41 27 42 43 44 45 46 47 48 49 50 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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 50 9.7619 10.7619 8.2619 3.732 4.6783 6.7619 5.2619 3.732 6.2619 4.6783 2.866 8.2619 8.2619 7.7619 9.2619 2.866 7.7619 2 9.7619 7.7619 9.2619 2 2.866 8.2619 10.7619 11.2619 7.7619 6.8445 6.1542 4.8709 7.1419 6.4519 2.866 1.4631 7.2869 7.2869 9.5719 1.4631 3.486 2.866 2.246 8.8819 10.7619 11.3819 10.7619 11.7988 11.5719 10.7249 7.1419 8.0719 -2.299 -0.567 2.0311 2.5311 1.2264 1.1651 2.0311 1.5311 2.0311 2.8358 3.0311 -1.433 0.299 -0.567 -1.433 1.0311 1.1651 2.5311 -0.567 -2.299 0.299 1.5311 4.0311 -3.1651 -2.299 0.299 -4.0311 2.2431 2.6417 3.4251 -0.567 0.6281 0.4111 2.8411 -1.9005 -2.6976 0.836 1.2211 4.0311 4.6511 4.0311 -3.1651 -2.919 -2.299 -1.679 -0.011 0.836 0.609 -4.0311 -4.568 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 7 8 11 12 12 13 13 15 16 18 19 8 10 11 7 8 10 16 18 14 15 14 21 19 22 22 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 515 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C400000000000005801F000001E00100000000C0CC19F063FB69FCC1C00A8033777740082882D3532A009D8A13EFCD88D6EF2C4FD9B94312A6CC613CAE9A7BADCF2CE20000300000840004000060000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-allyl-4,5-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-[(5-methyl-2-imidazo[1,2-a]pyridinyl)methyl]-5-prop-2-enylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-<I>N</I>-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-prop-2-enylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-prop-2-enylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-prop-2-enyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-allyl-4,5-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H23N3O3/c1-5-7-15-10-16(11-18(26-3)20(15)27-4)21(25)22-12-17-13-24-14(2)8-6-9-19(24)23-17/h5-6,8-11,13H,1,7,12H2,2-4H3,(H,22,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TVAXOAUAHZVEMM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC2=NC(=CN12)CNC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC2=NC(=CN12)CNC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.17394160 27 0 0 0 0 0 0 0 1 -1