46943569 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 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 2 3 3 4 4 4 5 5 5 6 7 7 7 8 8 9 10 10 11 11 12 12 13 14 14 15 17 18 19 19 20 20 20 21 21 22 22 23 24 24 25 26 26 27 27 28 28 29 29 30 30 31 9 17 16 23 26 6 15 20 16 19 38 18 8 9 14 11 12 10 13 16 15 18 13 32 33 17 34 35 36 37 21 22 39 40 41 23 42 24 43 25 25 44 45 27 28 29 46 30 47 31 48 31 49 50 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 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 7.2764 6.3301 2.866 5.9641 4.5981 4.9641 6.3301 5.4641 6.3301 5.4641 5.4641 4.5981 4.5981 7.2764 6.2731 5.4641 7.86 4.6551 4.5981 6.5519 3.732 5.4641 3.732 5.4641 4.5981 2.866 2 3.732 2 3.732 2.866 4.0611 4.0611 7.469 6.8628 8.48 4.0654 4.0611 7.0535 6.9163 6.0503 3.1951 6.001 6.001 4.5981 1.4631 4.269 1.4631 4.269 2.866 1.2713 -0.4239 -3.4239 5.6149 -0.4239 5.6149 2.5761 3.0761 1.5761 1.0761 4.0761 2.5761 1.5761 2.8808 4.6639 0.0761 2.0761 4.6639 -1.4239 6.4239 -1.9239 -1.9239 -2.9239 -2.9239 -3.4239 -4.4239 -4.9239 -4.9239 -5.9239 -5.9239 -6.4239 2.8861 1.2661 3.4701 4.4723 2.0761 4.4723 -0.1139 6.0595 6.9255 6.7884 -1.6139 -1.6139 -3.2339 -4.0439 -4.6139 -4.6139 -6.2339 -6.2339 -7.0439 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 6 7 7 7 8 9 10 11 11 12 14 19 19 21 22 23 24 26 26 27 28 29 30 9 17 6 15 18 8 9 14 12 10 13 15 18 13 17 21 22 23 24 25 25 27 28 29 30 31 31 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 611 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001624000003060C000000000004801FC00001E00180000000C0CE19A063EC6D2C80440AA02BD77D400920C0035A20018D8212E6CD80C26BECCF5DB86BD68E6FC19C8E98798D9F38EC0000302001800008000060400300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(1-methyl-4-pyrazolyl)-N-(3-phenoxyphenyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(1-methylpyrazol-4-yl)-<I>N</I>-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H19N3O3/c1-28-16-17(15-26-28)21-10-11-23(24-22(21)12-13-30-24)25(29)27-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-16H,1H3,(H,27,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZHXGUEICSAPTSA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=C3C=COC3=C(C=C2)C(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=C3C=COC3=C(C=C2)C(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.14264148 31 0 0 0 0 0 0 0 1 -1