665390 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 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 3 3 3 4 4 5 6 6 6 7 7 7 9 9 9 10 11 13 13 14 14 15 15 16 17 17 17 18 18 18 19 20 21 21 22 22 23 20 23 19 5 8 17 8 10 12 12 19 28 8 11 12 10 11 14 13 24 15 25 16 26 16 18 27 29 30 31 32 33 34 20 21 22 35 23 36 37 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 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 9.8938 9.2994 7.3424 5.5301 7.926 7.653 6.3961 6.3961 4.6641 4.6641 5.5301 7.3424 3.7702 3.7702 2.8641 2.8641 7.653 2 8.6315 8.9422 8.3558 8.945 9.8955 5.5301 3.7773 3.7773 2.3284 7.239 7.0637 7.8456 8.2424 1.6879 1.4643 2.3121 7.7358 8.7544 10.3977 1.832 -0.1702 -2.1921 -2.3874 -1.3874 0.3679 -0.8874 -1.8874 -0.8874 -1.8874 -0.3874 -0.5827 -2.422 -0.3527 -1.9082 -0.8666 -3.1426 -2.4115 0.5741 1.5246 2.3346 3.1426 2.832 0.2326 -3.042 0.2672 -0.5545 0.8293 -3.3352 -3.732 -2.95 -1.8758 -2.7236 -2.9473 2.3357 3.7326 3.1955 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 7 7 7 9 9 9 10 13 14 15 20 21 22 20 23 5 8 8 10 12 8 11 12 10 11 14 13 15 16 16 21 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 460 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07BB0000000000000000000000000000001624000003C4000000000000058B1FE00001E00180000000C0CA19F0633F4FEC81440AA03AF72F402928C2B25A2A01DD821FE6CD88E2EF2C4FDFF87BD28FCCD13D8E9A79897C20E40000040000200008000008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,7-dimethylpyrazolo[3,4-b]quinolin-3-yl)-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H14N4O2/c1-10-5-6-11-9-12-15(19-17(22)14-4-3-7-23-14)20-21(2)16(12)18-13(11)8-10/h3-9H,1-2H3,(H,19,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KIUWXZQQDLBQQT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 306.11167570 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H14N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 306.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=NC3=C(C=C2C=C1)C(=NN3C)NC(=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=NC3=C(C=C2C=C1)C(=NN3C)NC(=O)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 306.11167570 23 0 0 0 0 0 0 0 1 -1