49790733 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 8 8 7 7 7 7 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 2 3 3 3 4 4 4 5 6 6 7 7 7 8 8 9 10 10 11 11 12 12 13 14 14 15 17 18 19 19 19 20 20 21 21 21 22 22 23 24 24 25 9 13 16 5 17 21 16 19 34 18 23 25 8 9 12 11 13 10 14 16 17 18 15 26 27 15 28 29 30 31 20 32 33 22 23 35 36 37 24 38 39 25 40 41 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 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 7.2764 6.3301 8.5403 4.5981 7.5898 2.866 6.3301 7.2764 6.3301 5.4641 7.587 5.4641 7.86 4.5981 4.5981 5.4641 8.5386 7.0006 4.5981 3.732 9.3504 2.866 3.732 2 2 5.4641 8.48 4.0611 4.0611 9.0396 6.3806 4.8101 5.2087 4.0611 9.7139 9.8526 8.9868 2.866 4.269 1.4631 1.4631 0.1208 -1.5745 3.9881 -1.5745 4.2988 -4.5745 1.4255 1.7302 0.4255 -0.0745 2.6808 1.9255 0.9255 0.4255 1.4255 -1.0745 2.9881 3.4908 -2.5745 -3.0745 4.5745 -2.5745 -4.0745 -3.0745 -4.0745 2.5455 0.9255 0.1155 1.7355 2.6228 3.4919 -3.1571 -2.4668 -1.2645 4.0723 4.9381 5.0767 -1.9545 -4.3845 -2.7645 -4.3845 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 6 6 7 7 7 8 9 10 11 11 12 14 20 20 22 24 9 13 5 17 18 23 25 8 9 12 13 10 14 17 18 15 15 22 23 24 25 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 474 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001624000003C400000000000004801FE00001E00180000000C04E19A063E86D2C81440AA02B977D400928C2035A22018D8A13C6CD80C26FECCF5DB86BD68E6EE11C8E987BCD9F28E80000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-(3-pyridylmethyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methyl-4-pyrazolyl)-N-(3-pyridinylmethyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-<I>N</I>-(pyridin-3-ylmethyl)-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-(3-pyridylmethyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H16N4O2/c1-23-11-14(10-22-23)17-12-25-18-15(17)5-2-6-16(18)19(24)21-9-13-4-3-7-20-8-13/h2-8,10-12H,9H2,1H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YAOYXWRRLJTYCH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.12732577 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H16N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NCC4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NCC4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 73 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.12732577 25 0 0 0 0 0 0 0 1 -1