69813693 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 8 7 7 7 7 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 2 2 2 3 3 3 4 4 5 6 6 6 7 7 8 8 8 9 11 11 13 13 14 15 15 16 17 17 18 19 19 20 12 10 12 23 5 11 27 10 20 18 7 9 12 10 17 9 14 15 21 13 14 16 18 22 16 24 25 19 26 28 20 29 30 2 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 6 7 12 9 8 21 3 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 6.2619 4.6783 7.7574 2.866 8.7292 4.6783 3.732 5.9674 4.9889 3.732 7.2566 5.2619 7.9244 6.2781 6.6353 7.6138 2.866 8.8322 2 2 4.5749 5.864 4.8709 6.4427 8.0279 2.866 7.5072 9.3692 1.4631 1.4631 -1.5751 -2.3798 2.4019 -2.5751 2.1927 -0.7703 -1.0751 0.3864 0.1802 -2.0751 1.5431 -1.5751 0.7988 1.3369 -0.3579 -0.1517 -0.5751 1.2039 -1.0751 -2.0751 0.6416 1.7984 -2.9691 -0.9472 -0.6132 0.0449 2.9691 0.8939 -0.7651 -2.3851 8 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 7 7 8 8 11 11 13 13 15 17 19 5 11 10 20 18 9 10 17 14 15 13 14 16 18 16 19 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 436 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073A000000000000000000000000000000162C000003C400000000000005801FC00001E00180000000C08C19E043DF0F2EB1000AA033777740092842931822019F9213864D88820F2C0DDD184A408689D02C8C9A71C88000E40000040000200008000008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-indazol-6-ylmethylene)-1H-pyrrolo[2,3-b]pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-indazol-6-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1<I>H</I>-indazol-6-ylmethylidene)-1<I>H</I>-pyrrolo[2,3-b]pyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-indazol-6-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-indazol-6-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-indazol-6-ylmethylene)-1H-pyrrolo[2,3-b]pyridin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H10N4O/c20-15-12(11-2-1-5-16-14(11)18-15)6-9-3-4-10-8-17-19-13(10)7-9/h1-8H,(H,17,19)(H,16,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FWSSMHXWOLSPAA-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 2021.05.07 262.08546096 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H10N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(NC(=O)C2=CC3=CC4=C(C=C3)C=NN4)N=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(NC(=O)C2=CC3=CC4=C(C=C3)C=NN4)N=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.08546096 20 0 0 0 1 0 1 0 1 -1