70680248 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 8 8 8 7 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 2 2 3 4 4 4 5 5 6 7 7 7 8 8 8 10 10 10 12 13 14 14 15 15 16 16 16 17 18 19 20 21 21 22 22 23 23 23 24 17 23 20 24 19 6 9 16 9 13 11 11 19 28 9 11 12 12 13 14 25 15 18 26 17 27 29 30 31 18 32 20 21 22 33 24 34 35 36 37 38 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 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 2.868 10.7617 10.1673 8.2103 6.3981 8.7939 8.521 7.2641 7.2641 5.532 8.2103 6.3981 5.532 4.6381 4.6381 8.521 3.732 3.732 9.4995 9.8102 9.2238 9.813 2 10.7635 6.3981 4.6453 4.6453 8.1069 7.9317 8.7136 9.1103 3.1963 8.6038 9.6224 2.3079 1.4619 1.6921 11.2657 -2.4115 1.832 -0.1702 -2.1921 -2.3874 -1.3874 0.3679 -0.8874 -1.8874 -0.8874 -0.5827 -0.3874 -1.8874 -0.3527 -2.422 -3.1426 -1.9082 -0.8666 0.5741 1.5246 2.3346 3.1426 -1.9149 2.832 0.2326 0.2672 -3.042 0.8293 -3.3352 -3.732 -2.95 -0.5545 2.3357 3.7326 -1.3768 -1.607 -2.453 3.1955 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 8 8 8 10 10 10 13 14 15 17 20 21 22 20 24 6 9 9 13 11 9 11 12 12 13 14 15 18 17 18 21 22 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 477 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB0000000000000000000000000000001624000003C4000000000000058B1FE00001E00180000000C0CA19F0633F6FEC81440AA03AF72F402928C2B25A2A01DD821FE6CD88E2EF2C4FDFF87BD28FECD1BD8E9A798D7E30E20000002000200004000000400040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-methoxy-1-methyl-pyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-methoxy-1-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-methoxy-1-methyl-pyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-methoxy-1-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H14N4O3/c1-21-16-12(8-10-5-6-11(23-2)9-13(10)18-16)15(20-21)19-17(22)14-4-3-7-24-14/h3-9H,1-2H3,(H,19,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NMSTWHPXQFRZIP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.10659032 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H14N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C3C=CC(=CC3=N2)OC)C(=N1)NC(=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C3C=CC(=CC3=N2)OC)C(=N1)NC(=O)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.10659032 24 0 0 0 0 0 0 0 1 -1