sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride

C213H233BrCl4I2N29NaO14P2PdS13Si2 — CID 161310528

IUPACsodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride
SMILESCC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CCCCS(=O)(=O)c1cnc2[nH]cc(C3=CCN=C3)c2c1.CCCCS(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(I)c2c1.CCCCSc1cnc2[nH]ccc2c1.CCCCSc1cnc2c(c1)c(-c1cn[nH]c1)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(c1)c(-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1.Cl.Cl[Pd]Cl.O=S(=O)(Cl)c1ccccc1.OO.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H34N4O2S2.C20H20N4O2S2.2C18H15P.C17H17IN2O2S2.C17H28N2SSi.C15H17N3O2S.C14H16N4OS.C14H16N4S.C13H19BrN2Si.C11H13IN2S.C11H14N2S.C6H5ClO2S.3ClH.Na.H2O2.H2O.Pd/c1-2-3-24-46-34-25-36-37(29-42(38(36)40-27-34)47(44,45)35-22-14-7-15-23-35)30-26-41-43(28-30)39(31-16-8-4-9-17-31,32-18-10-5-11-19-32)33-20-12-6-13-21-33;1-2-3-9-27-16-10-18-19(15-11-22-23-12-15)14-24(20(18)21-13-16)28(25,26)17-7-5-4-6-8-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-9-23-13-10-15-16(18)12-20(17(15)19-11-13)24(21,22)14-7-5-4-6-8-14;1-7-8-11-20-15-12-14-9-10-19(16(14)18-13-15)21(5,6)17(2,3)4;1-2-3-6-21(19,20)12-7-13-14(11-4-5-16-8-11)10-18-15(13)17-9-12;1-2-3-4-20(19)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-2-3-4-19-11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-2-3-4-15-8-5-9-10(12)7-14-11(9)13-6-8;1-2-3-6-14-10-7-9-4-5-12-11(9)13-8-10;7-10(8,9)6-4-2-1-3-5-6;;;;;1-2;;/h4-23,25-29H,2-3,24H2,1H3;4-8,10-14H,2-3,9H2,1H3,(H,22,23);2*1-15H;4-8,10-12H,2-3,9H2,1H3;9-10,12-13H,7-8,11H2,1-6H3;4,7-10H,2-3,5-6H2,1H3,(H,17,18);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);6-9H,1-5H3;5-7H,2-4H2,1H3,(H,13,14);4-5,7-8H,2-3,6H2,1H3,(H,12,13);1-5H;3*1H;;1-2H;1H2;/q;;;;;;;;;;;;;;;;+1;;;+2/p-3
InChIKeyYGNDLZBQJPEHER-UHFFFAOYSA-K
MW4563.32 g/mol
LogP52.60
Rot. Bonds60

About sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride

sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride (PubChem CID 161310528) has the molecular formula C213H233BrCl4I2N29NaO14P2PdS13Si2 and a molecular weight of 4563.32 g/mol. Its IUPAC name is sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride
PubChem CID161310528
Molecular FormulaC213H233BrCl4I2N29NaO14P2PdS13Si2
Molecular Weight4563.32 g/mol
Exact Mass4555.88
IUPAC Namesodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride
SMILESCC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CCCCS(=O)(=O)c1cnc2[nH]cc(C3=CCN=C3)c2c1.CCCCS(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(I)c2c1.CCCCSc1cnc2[nH]ccc2c1.CCCCSc1cnc2c(c1)c(-c1cn[nH]c1)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(c1)c(-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1.Cl.Cl[Pd]Cl.O=S(=O)(Cl)c1ccccc1.OO.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H34N4O2S2.C20H20N4O2S2.2C18H15P.C17H17IN2O2S2.C17H28N2SSi.C15H17N3O2S.C14H16N4OS.C14H16N4S.C13H19BrN2Si.C11H13IN2S.C11H14N2S.C6H5ClO2S.3ClH.Na.H2O2.H2O.Pd/c1-2-3-24-46-34-25-36-37(29-42(38(36)40-27-34)47(44,45)35-22-14-7-15-23-35)30-26-41-43(28-30)39(31-16-8-4-9-17-31,32-18-10-5-11-19-32)33-20-12-6-13-21-33;1-2-3-9-27-16-10-18-19(15-11-22-23-12-15)14-24(20(18)21-13-16)28(25,26)17-7-5-4-6-8-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-9-23-13-10-15-16(18)12-20(17(15)19-11-13)24(21,22)14-7-5-4-6-8-14;1-7-8-11-20-15-12-14-9-10-19(16(14)18-13-15)21(5,6)17(2,3)4;1-2-3-6-21(19,20)12-7-13-14(11-4-5-16-8-11)10-18-15(13)17-9-12;1-2-3-4-20(19)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-2-3-4-19-11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-2-3-4-15-8-5-9-10(12)7-14-11(9)13-6-8;1-2-3-6-14-10-7-9-4-5-12-11(9)13-8-10;7-10(8,9)6-4-2-1-3-5-6;;;;;1-2;;/h4-23,25-29H,2-3,24H2,1H3;4-8,10-14H,2-3,9H2,1H3,(H,22,23);2*1-15H;4-8,10-12H,2-3,9H2,1H3;9-10,12-13H,7-8,11H2,1-6H3;4,7-10H,2-3,5-6H2,1H3,(H,17,18);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);6-9H,1-5H3;5-7H,2-4H2,1H3,(H,13,14);4-5,7-8H,2-3,6H2,1H3,(H,12,13);1-5H;3*1H;;1-2H;1H2;/q;;;;;;;;;;;;;;;;+1;;;+2/p-3
InChIKeyYGNDLZBQJPEHER-UHFFFAOYSA-K
XLogP52.60
TPSA606.95 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds60
Heavy Atoms282
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004563.32
LogP ≤ 552.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride?
The IUPAC name of sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride (CID 161310528) is sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride.
What is the SMILES notation for sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride?
The canonical SMILES for sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride is CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CCCCS(=O)(=O)c1cnc2[nH]cc(C3=CCN=C3)c2c1.CCCCS(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(I)c2c1.CCCCSc1cnc2[nH]ccc2c1.CCCCSc1cnc2c(c1)c(-c1cn[nH]c1)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(c1)c(-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.CCCCSc1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1.Cl.Cl[Pd]Cl.O=S(=O)(Cl)c1ccccc1.OO.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride?
The InChIKey is YGNDLZBQJPEHER-UHFFFAOYSA-K. The full InChI is InChI=1S/C39H34N4O2S2.C20H20N4O2S2.2C18H15P.C17H17IN2O2S2.C17H28N2SSi.C15H17N3O2S.C14H16N4OS.C14H16N4S.C13H19BrN2Si.C11H13IN2S.C11H14N2S.C6H5ClO2S.3ClH.Na.H2O2.H2O.Pd/c1-2-3-24-46-34-25-36-37(29-42(38(36)40-27-34)47(44,45)35-22-14-7-15-23-35)30-26-41-43(28-30)39(31-16-8-4-9-17-31,32-18-10-5-11-19-32)33-20-12-6-13-21-33;1-2-3-9-27-16-10-18-19(15-11-22-23-12-15)14-24(20(18)21-13-16)28(25,26)17-7-5-4-6-8-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-9-23-13-10-15-16(18)12-20(17(15)19-11-13)24(21,22)14-7-5-4-6-8-14;1-7-8-11-20-15-12-14-9-10-19(16(14)18-13-15)21(5,6)17(2,3)4;1-2-3-6-21(19,20)12-7-13-14(11-4-5-16-8-11)10-18-15(13)17-9-12;1-2-3-4-20(19)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-2-3-4-19-11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-2-3-4-15-8-5-9-10(12)7-14-11(9)13-6-8;1-2-3-6-14-10-7-9-4-5-12-11(9)13-8-10;7-10(8,9)6-4-2-1-3-5-6;;;;;1-2;;/h4-23,25-29H,2-3,24H2,1H3;4-8,10-14H,2-3,9H2,1H3,(H,22,23);2*1-15H;4-8,10-12H,2-3,9H2,1H3;9-10,12-13H,7-8,11H2,1-6H3;4,7-10H,2-3,5-6H2,1H3,(H,17,18);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);6-9H,1-5H3;5-7H,2-4H2,1H3,(H,13,14);4-5,7-8H,2-3,6H2,1H3,(H,12,13);1-5H;3*1H;;1-2H;1H2;/q;;;;;;;;;;;;;;;;+1;;;+2/p-3.
What are the key properties of sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride?
sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride has a molecular weight of 4563.32 g/mol, XLogP of 52.60, 60 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-(5-butylsulfanylpyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfonyl-3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride is sourced from PubChem (CID 161310528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).