potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide

C209H184BBrCl3I4KN26NaO15P2PdS12Si- — CID 157447369

IUPACpotassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide
SMILESBrc1cnc2[nH]ccc2c1.C.CC(C)[SiH](C(C)C)C(C)C.Cl[Pd]Cl.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Sc4ccccc4)cc23)cn1.II.Ic1c[nH]c2ncc(Sc3ccccc3)cc12.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(Sc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Sc3ccccc3)cnc21.O=S(c1ccccc1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OO.[K+].[Na+].[OH-].[OH-].[S-]c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1ccc(Sc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H18N4O2S2.C22H19BN2O2.C22H16N4O2S2.C19H13IN2O2S2.2C18H15P.C16H12N4OS.C16H12N4S.C13H9IN2S.C13H10N2S.C9H22Si.C7H5BrN2.C6H5ClO2S.C6H6S.CH4.2ClH.I2.K.Na.H2O2.2H2O.Pd/c1-26-15-17(13-25-26)22-16-27(31(28,29)20-10-6-3-7-11-20)23-21(22)12-19(14-24-23)30-18-8-4-2-5-9-18;26-23(27)21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;27-30(28,19-9-5-2-6-10-19)26-15-21(16-12-24-25-13-16)20-11-18(14-23-22(20)26)29-17-7-3-1-4-8-17;20-18-13-22(26(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)25-14-7-3-1-4-8-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;21-22(12-4-2-1-3-5-12)13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;14-12-8-16-13-11(12)6-10(7-15-13)17-9-4-2-1-3-5-9;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;1-7(2)10(8(3)4)9(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;7-6-4-2-1-3-5-6;;;;1-2;;;1-2;;;/h2-16H,1H3;1-17,26-27H;1-15H,(H,24,25);1-13H;2*1-15H;1-10H,(H,17,18)(H,19,20);1-10H,(H,17,18)(H,19,20);1-8H,(H,15,16);1-9H,(H,14,15);7-10H,1-6H3;1-4H,(H,9,10);1-5H;1-5,7H;1H4;2*1H;;;;1-2H;2*1H2;/q;;;;;;;;;;;;;;;;;;2*+1;;;;+2/p-5
InChIKeyBSJPEOYGVOSFOC-UHFFFAOYSA-I
MW4647.97 g/mol
LogP45.65
Rot. Bonds39

About potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide

potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide (PubChem CID 157447369) has the molecular formula C209H184BBrCl3I4KN26NaO15P2PdS12Si- and a molecular weight of 4647.97 g/mol. Its IUPAC name is potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide.

Molecular Properties

Compound Namepotassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide
PubChem CID157447369
Molecular FormulaC209H184BBrCl3I4KN26NaO15P2PdS12Si-
Molecular Weight4647.97 g/mol
Exact Mass4641.34
IUPAC Namepotassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide
SMILESBrc1cnc2[nH]ccc2c1.C.CC(C)[SiH](C(C)C)C(C)C.Cl[Pd]Cl.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Sc4ccccc4)cc23)cn1.II.Ic1c[nH]c2ncc(Sc3ccccc3)cc12.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(Sc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Sc3ccccc3)cnc21.O=S(c1ccccc1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OO.[K+].[Na+].[OH-].[OH-].[S-]c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1ccc(Sc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H18N4O2S2.C22H19BN2O2.C22H16N4O2S2.C19H13IN2O2S2.2C18H15P.C16H12N4OS.C16H12N4S.C13H9IN2S.C13H10N2S.C9H22Si.C7H5BrN2.C6H5ClO2S.C6H6S.CH4.2ClH.I2.K.Na.H2O2.2H2O.Pd/c1-26-15-17(13-25-26)22-16-27(31(28,29)20-10-6-3-7-11-20)23-21(22)12-19(14-24-23)30-18-8-4-2-5-9-18;26-23(27)21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;27-30(28,19-9-5-2-6-10-19)26-15-21(16-12-24-25-13-16)20-11-18(14-23-22(20)26)29-17-7-3-1-4-8-17;20-18-13-22(26(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)25-14-7-3-1-4-8-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;21-22(12-4-2-1-3-5-12)13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;14-12-8-16-13-11(12)6-10(7-15-13)17-9-4-2-1-3-5-9;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;1-7(2)10(8(3)4)9(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;7-6-4-2-1-3-5-6;;;;1-2;;;1-2;;;/h2-16H,1H3;1-17,26-27H;1-15H,(H,24,25);1-13H;2*1-15H;1-10H,(H,17,18)(H,19,20);1-10H,(H,17,18)(H,19,20);1-8H,(H,15,16);1-9H,(H,14,15);7-10H,1-6H3;1-4H,(H,9,10);1-5H;1-5,7H;1H4;2*1H;;;;1-2H;2*1H2;/q;;;;;;;;;;;;;;;;;;2*+1;;;;+2/p-5
InChIKeyBSJPEOYGVOSFOC-UHFFFAOYSA-I
XLogP45.65
TPSA613.09 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds39
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004647.97
LogP ≤ 545.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide with MolForge

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Related Compounds

potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-(boriren-1-yl)-1-tritylpyrazole;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;2,2,2-trifluoroacetaldehyde;bis(triphenylphosphane);tri(propan-2-yl)silane;dihydroxide
CID 160948302
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-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;bis(triphenylphosphane);hydroxide;hydrochloride
CID 157174140
sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride
CID 158515078
potassium;sodium;benzenesulfonyl chloride;bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;dichloropalladium;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine;bis(2-methoxyethyl(trimethyl)silane);morpholine;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine;bis(4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine);bis(triphenylphosphane);(1-tritylpyrazol-4-yl)boronic acid;dihydroxide
CID 160590487
sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;dichloropalladium;2-methylprop-1-enylboronic acid;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);hydroxide
CID 160976062
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
sodium;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2-[[5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[[5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;hydroxide;hydrochloride
CID 162125162

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide?
The IUPAC name of potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide (CID 157447369) is potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide.
What is the SMILES notation for potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide?
The canonical SMILES for potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide is Brc1cnc2[nH]ccc2c1.C.CC(C)[SiH](C(C)C)C(C)C.Cl[Pd]Cl.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Sc4ccccc4)cc23)cn1.II.Ic1c[nH]c2ncc(Sc3ccccc3)cc12.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(Sc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Sc3ccccc3)cnc21.O=S(c1ccccc1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OO.[K+].[Na+].[OH-].[OH-].[S-]c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1ccc(Sc2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide?
The InChIKey is BSJPEOYGVOSFOC-UHFFFAOYSA-I. The full InChI is InChI=1S/C23H18N4O2S2.C22H19BN2O2.C22H16N4O2S2.C19H13IN2O2S2.2C18H15P.C16H12N4OS.C16H12N4S.C13H9IN2S.C13H10N2S.C9H22Si.C7H5BrN2.C6H5ClO2S.C6H6S.CH4.2ClH.I2.K.Na.H2O2.2H2O.Pd/c1-26-15-17(13-25-26)22-16-27(31(28,29)20-10-6-3-7-11-20)23-21(22)12-19(14-24-23)30-18-8-4-2-5-9-18;26-23(27)21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;27-30(28,19-9-5-2-6-10-19)26-15-21(16-12-24-25-13-16)20-11-18(14-23-22(20)26)29-17-7-3-1-4-8-17;20-18-13-22(26(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)25-14-7-3-1-4-8-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;21-22(12-4-2-1-3-5-12)13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;14-12-8-16-13-11(12)6-10(7-15-13)17-9-4-2-1-3-5-9;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;1-7(2)10(8(3)4)9(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;7-6-4-2-1-3-5-6;;;;1-2;;;1-2;;;/h2-16H,1H3;1-17,26-27H;1-15H,(H,24,25);1-13H;2*1-15H;1-10H,(H,17,18)(H,19,20);1-10H,(H,17,18)(H,19,20);1-8H,(H,15,16);1-9H,(H,14,15);7-10H,1-6H3;1-4H,(H,9,10);1-5H;1-5,7H;1H4;2*1H;;;;1-2H;2*1H2;/q;;;;;;;;;;;;;;;;;;2*+1;;;;+2/p-5.
What are the key properties of potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide?
potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide has a molecular weight of 4647.97 g/mol, XLogP of 45.65, 39 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;benzenethiolate;5-bromo-1H-pyrrolo[2,3-b]pyridine;dichloropalladium;hydrogen peroxide;3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;methane;molecular iodine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine;bis(triphenylphosphane);tri(propan-2-yl)silane;(1-tritylpyrazol-4-yl)boronic acid;dihydroxide is sourced from PubChem (CID 157447369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).