potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide

C183H160BBrClI6KN31NaO16P4PdS2Zn — CID 161288826

About potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide

potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide (PubChem CID 161288826) has the molecular formula C183H160BBrClI6KN31NaO16P4PdS2Zn and a molecular weight of 4359.01 g/mol. Its IUPAC name is potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide.

Molecular Properties

• Compound Name: potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide
• PubChem CID: 161288826
• Molecular Formula: C183H160BBrClI6KN31NaO16P4PdS2Zn
• Molecular Weight: 4359.01 g/mol
• Exact Mass: 4353.21
• IUPAC Name: potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide
• SMILES: Brc1cnc2[nH]ccc2c1.CC.CCO.CI.CI.Cn1cc(-c2ccoc2)c2cc(C#N)cnc21.Cn1cc(I)c2cc(C#N)cnc21.II.N#Cc1cnc2[nH]cc(I)c2c1.N#Cc1cnc2[nH]ccc2c1.NNC=O.O=S(=O)(Cl)c1ccccc1.OB(O)c1ccoc1.[C-]#N.[C-]#N.[H]/N=C(\OCC)c1cnc2c(c1)c(-c1ccoc1)cn2C.[K+].[Na+].[OH-].[OH-].[Pd].[Zn+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(SOOn2cc(-c3ccoc3)c3cc(-c4ncn[nH]4)cnc32)cc1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1
• InChI: InChI=1S/C19H13N5O3S.4C18H15P.C15H15N3O2.C13H9N5O.C13H9N3O.C9H6IN3.C8H4IN3.C8H5N3.C7H5BrN2.C6H5ClO2S.C4H5BO3.C2H6O.C2H6.2CH3I.CH4N2O.2CN.I2.K.Na.2H2O.Pd.Zn/c1-2-4-15(5-3-1)28-27-26-24-10-17(13-6-7-25-11-13)16-8-14(9-20-19(16)24)18-21-12-22-23-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-20-14(16)11-6-12-13(10-4-5-19-9-10)8-18(2)15(12)17-7-11;1-2-19-6-8(1)11-5-15-13-10(11)3-9(4-14-13)12-16-7-17-18-12;1-16-7-12(10-2-3-17-8-10)11-4-9(5-14)6-15-13(11)16;1-13-5-8(10)7-2-6(3-11)4-12-9(7)13;9-7-4-12-8-6(7)1-5(2-10)3-11-8;9-4-6-3-7-1-2-10-8(7)11-5-6;8-6-3-5-1-2-9-7(5)10-4-6;7-10(8,9)6-4-2-1-3-5-6;6-5(7)4-1-2-8-3-4;1-2-3;3*1-2;2-3-1-4;3*1-2;;;;;;/h1-12H,(H,21,22,23);4*1-15H;4-9,16H,3H2,1-2H3;1-7H,(H,14,15)(H,16,17,18);2-4,6-8H,1H3;2,4-5H,1H3;1,3-4H,(H,11,12);1-3,5H,(H,10,11);1-4H,(H,9,10);1-5H;1-3,6-7H;3H,2H2,1H3;1-2H3;2*1H3;1H,2H2,(H,3,4);;;;;;2*1H2;;/q;;;;;;;;;;;;;;;;;;;2*-1;;2*+1;;;;+2/p-2/b;;;;;16-14-
• InChIKey: NFCCAWGQNHKGOT-OJMVNGRASA-L
• XLogP: 32.21
• TPSA: 739.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4359.01
LogP ≤ 5	32.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide?

The IUPAC name of potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide (CID 161288826) is potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide.

What is the SMILES notation for potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide?

The canonical SMILES for potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide is Brc1cnc2[nH]ccc2c1.CC.CCO.CI.CI.Cn1cc(-c2ccoc2)c2cc(C#N)cnc21.Cn1cc(I)c2cc(C#N)cnc21.II.N#Cc1cnc2[nH]cc(I)c2c1.N#Cc1cnc2[nH]ccc2c1.NNC=O.O=S(=O)(Cl)c1ccccc1.OB(O)c1ccoc1.[C-]#N.[C-]#N.[H]/N=C(\OCC)c1cnc2c(c1)c(-c1ccoc1)cn2C.[K+].[Na+].[OH-].[OH-].[Pd].[Zn+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(SOOn2cc(-c3ccoc3)c3cc(-c4ncn[nH]4)cnc32)cc1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1.

What is the InChIKey of potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide?

The InChIKey is NFCCAWGQNHKGOT-OJMVNGRASA-L. The full InChI is InChI=1S/C19H13N5O3S.4C18H15P.C15H15N3O2.C13H9N5O.C13H9N3O.C9H6IN3.C8H4IN3.C8H5N3.C7H5BrN2.C6H5ClO2S.C4H5BO3.C2H6O.C2H6.2CH3I.CH4N2O.2CN.I2.K.Na.2H2O.Pd.Zn/c1-2-4-15(5-3-1)28-27-26-24-10-17(13-6-7-25-11-13)16-8-14(9-20-19(16)24)18-21-12-22-23-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-20-14(16)11-6-12-13(10-4-5-19-9-10)8-18(2)15(12)17-7-11;1-2-19-6-8(1)11-5-15-13-10(11)3-9(4-14-13)12-16-7-17-18-12;1-16-7-12(10-2-3-17-8-10)11-4-9(5-14)6-15-13(11)16;1-13-5-8(10)7-2-6(3-11)4-12-9(7)13;9-7-4-12-8-6(7)1-5(2-10)3-11-8;9-4-6-3-7-1-2-10-8(7)11-5-6;8-6-3-5-1-2-9-7(5)10-4-6;7-10(8,9)6-4-2-1-3-5-6;6-5(7)4-1-2-8-3-4;1-2-3;3*1-2;2-3-1-4;3*1-2;;;;;;/h1-12H,(H,21,22,23);4*1-15H;4-9,16H,3H2,1-2H3;1-7H,(H,14,15)(H,16,17,18);2-4,6-8H,1H3;2,4-5H,1H3;1,3-4H,(H,11,12);1-3,5H,(H,10,11);1-4H,(H,9,10);1-5H;1-3,6-7H;3H,2H2,1H3;1-2H3;2*1H3;1H,2H2,(H,3,4);;;;;;2*1H2;;/q;;;;;;;;;;;;;;;;;;;2*-1;;2*+1;;;;+2/p-2/b;;;;;16-14-;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide?

potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide has a molecular weight of 4359.01 g/mol, XLogP of 32.21, 27 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;iodomethane;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide is sourced from PubChem (CID 161288826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).