49789756 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 8 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 7 7 7 8 8 9 10 10 11 12 12 13 14 14 14 15 15 15 17 17 18 19 19 20 20 21 22 22 22 23 23 23 9 13 20 23 16 6 11 22 14 16 31 21 8 9 12 11 13 10 16 17 19 18 24 25 15 26 27 20 28 29 18 30 32 21 33 34 35 36 37 38 39 40 41 42 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 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 6.4103 2 5.4641 7.6726 3.732 7.6743 5.4641 6.4103 5.4641 4.5981 6.721 4.5981 6.9939 3.732 2.866 4.5981 3.732 3.732 6.1346 2.866 6.7238 8.4806 2 4.5981 7.6139 3.9441 4.3426 2.654 2.2554 3.1951 3.1951 3.1951 5.5146 3.0781 3.4766 6.5332 8.1153 8.9815 8.8459 1.38 2 2.62 0.7586 -3.9366 -0.9366 3.626 -0.9366 4.626 2.0634 2.3681 1.0634 0.5634 3.3186 2.5634 1.5634 -1.9366 -2.4366 -0.4366 1.0634 2.0634 4.1286 -3.4366 4.9366 3.0368 -4.9366 3.1834 1.5634 -2.5192 -1.829 -1.854 -2.5443 0.7534 -0.6266 2.3734 4.1297 -4.0193 -3.329 5.5266 2.5358 2.6715 3.5378 -4.9366 -5.5566 -4.9366 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 12 17 19 9 13 6 11 21 8 9 12 13 10 17 19 18 18 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 407 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016240000030000000000000004801FC00001E00180000000C0CE19E063E86D2C80440AA03BD77D400920C0025A20018D8A13C6CD80C26BECCF5DB86BD68E6FE11C8E987BCD9F08E80000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methoxypropyl)-3-(2-methylpyrazol-3-yl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methoxypropyl)-3-(2-methyl-3-pyrazolyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-methoxypropyl)-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methoxypropyl)-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methoxypropyl)-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methoxypropyl)-3-(2-methylpyrazol-3-yl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H19N3O3/c1-20-15(7-9-19-20)14-11-23-16-12(14)5-3-6-13(16)17(21)18-8-4-10-22-2/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,18,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CERHIMINEFOXDO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C(=CC=N1)C2=COC3=C2C=CC=C3C(=O)NCCCOC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C(=CC=N1)C2=COC3=C2C=CC=C3C(=O)NCCCOC 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 2021.05.07 313.14264148 23 0 0 0 0 0 0 0 1 -1