53245611 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 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 2 3 3 3 4 4 5 6 6 7 7 8 8 8 10 11 11 11 12 13 13 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 22 23 23 23 24 25 26 26 27 27 29 29 29 30 30 30 28 17 30 6 10 11 5 9 12 7 13 9 14 9 10 12 31 15 32 33 16 17 34 18 35 19 20 21 22 18 36 26 37 27 38 24 39 25 40 24 25 29 41 42 28 43 28 44 45 46 47 48 49 50 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 2 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 7.1441 8.0641 6.2781 3.5998 3.0162 6.2781 5.4121 4.546 4.546 5.4121 7.1441 3.5998 7.1881 5.396 7.1441 3.2892 7.1961 6.2941 8.0102 6.2781 2.3107 3.957 2.6678 2 3.6464 8.0102 6.2781 7.1441 2.3572 8.0679 5.4121 7.7547 7.3562 7.7214 4.8555 6.2917 8.5471 5.7412 1.8966 4.5637 1.3933 4.0604 8.5471 5.7412 1.7679 2.1646 2.9465 8.6879 8.0703 7.4479 -4.2726 3.2726 0.2275 1.5322 0.7275 1.2274 1.7274 0.2275 1.2274 -0.2725 -0.2725 -0.0773 1.7343 2.769 -1.2726 -1.0278 2.7759 3.2967 -1.7726 -1.7726 -1.234 -1.7721 -2.9288 -2.1845 -2.7226 -2.7726 -2.7726 -3.2726 -3.8794 4.2726 -0.8925 -0.3802 0.3101 1.4181 3.0727 3.9167 -1.4626 -1.4626 -0.7726 -1.6442 -2.3124 -3.1841 -3.0826 -3.0826 -3.6868 -4.4687 -4.072 4.2702 4.8925 4.2749 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 3 3 4 4 5 6 6 7 7 8 8 13 14 15 15 16 16 17 19 20 21 22 23 23 26 27 6 10 5 9 12 7 13 9 14 10 12 17 18 19 20 21 22 18 26 27 24 25 24 25 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 561 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 0 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 00000371E07B21000000000000000000000000000001600000003C60C1000000000058B1D400001F00080000000C0CC19E0E3EC6F30C1400A20334674400928C2031222018D8203E6C980C26E2C4F1DB84B42866C819C8E80790D0E30E6000000200020000C000000400040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-fluorophenyl)methyl]-7-methoxy-3-(p-tolyl)pyrazolo[4,3-c]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-fluorophenyl)methyl]-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-fluorophenyl)methyl]-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-fluorophenyl)methyl]-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-fluorophenyl)methyl]-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-fluorobenzyl)-7-methoxy-3-(p-tolyl)pyrazolo[4,3-c]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H20FN3O/c1-16-3-7-18(8-4-16)24-22-15-29(14-17-5-9-19(26)10-6-17)23-13-20(30-2)11-12-21(23)25(22)28-27-24/h3-13,15H,14H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RGMXYAYSOSTSJL-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 2021.05.07 397.15904043 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H20FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C2=NN=C3C2=CN(C4=C3C=CC(=C4)OC)CC5=CC=C(C=C5)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C2=NN=C3C2=CN(C4=C3C=CC(=C4)OC)CC5=CC=C(C=C5)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 39.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.15904043 30 0 0 0 0 0 0 0 1 -1