51359969 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 9 8 8 8 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 2 2 3 3 4 5 5 5 6 6 7 7 8 8 8 9 10 11 11 12 12 13 14 14 15 15 16 17 17 18 18 19 19 21 22 22 23 23 24 25 26 26 26 21 13 25 20 26 20 7 10 11 9 10 8 9 12 27 28 13 14 15 29 17 18 19 16 30 16 20 31 21 32 22 33 23 34 24 24 35 25 36 37 38 39 40 41 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 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 6.8726 9.4477 2.866 3.732 6.3301 7.2764 7.2764 7.587 7.86 6.3301 5.4641 6.9192 8.86 5.4641 4.5981 4.5981 7.2298 5.9407 9.4477 3.732 6.562 5.2728 10.3988 5.5835 10.3988 2 8.1339 7.9696 5.4641 5.4641 4.0611 7.8365 5.748 9.2562 4.6661 10.9004 5.1694 10.9004 2.31 1.4631 1.69 3.0724 -1.2634 -1.5724 -0.0724 -1.5724 -2.8772 -1.2677 -0.3172 -2.0724 -2.5724 -1.0724 0.4271 -2.0724 -3.0724 -1.5724 -2.5724 1.3776 0.2209 -2.8815 -1.0724 2.1219 0.9652 -2.5724 1.9157 -1.5724 -1.0724 -0.6092 0.1707 -0.4524 -3.6924 -2.8824 1.5055 -0.3684 -3.4711 0.8373 -2.9369 2.3772 -1.208 -0.5355 -0.7624 -1.6094 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 5 6 6 7 10 11 12 12 13 14 15 17 18 19 21 22 23 13 25 7 10 11 9 10 9 14 15 17 18 19 16 16 21 22 23 24 24 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 505 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B31000000000000000000000000000001624000003C400000000000005801FC00001F00000000000C0CE19F0E3FBC9F0C1C40A803BEF7EC0482882D3732A009D821BE7CD88E6EFAC4BDBB9739A8EEC013D8E9E798D9F39E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 3-[(3-fluorophenyl)methyl]-2-(2-furyl)imidazo[1,2-a]pyridine-6-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(3-fluorophenyl)methyl]-2-(2-furanyl)-6-imidazo[1,2-a]pyridinecarboxylic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-fluorobenzyl)-2-(2-furyl)imidazo[1,2-a]pyridine-6-carboxylic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H15FN2O3/c1-25-20(24)14-7-8-18-22-19(17-6-3-9-26-17)16(23(18)12-14)11-13-4-2-5-15(21)10-13/h2-10,12H,11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XCXRKNYLLJVANZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.10667051 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H15FN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC(=O)C1=CN2C(=NC(=C2CC3=CC(=CC=C3)F)C4=CC=CO4)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC(=O)C1=CN2C(=NC(=C2CC3=CC(=CC=C3)F)C4=CC=CO4)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 56.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.10667051 26 0 0 0 0 0 0 0 1 -1