dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide

C251H128BCl4I5K2N19NaO16S4 — CID 158805408

IUPACdipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1cc(Cl)c2c(I)c[nH]c2n1.Cc1cc(Cl)c2cc[nH]c2n1.Cc1cc(N2CCOCC2)c2c(-c3cccc(C#N)c3)c[nH]c2n1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(N4CCOCC4)cc(C)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)cc(C)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(N4CCOCC4)cc(C)nc32)cc1.II.N#Cc1cccc(B(O)O)c1.[H-].[K+].[K+].[Na+].[OH-].[OH-]
InChIInChI=1S/C36H6.C35H4.C34H2.C33H4.C26H24N4O3S.C19H20IN3O3S.C19H18N4O.C15H12ClIN2O2S.C8H6ClIN2.C8H7ClN2.C7H6BNO2.C7H7ClO2S.C4H9NO.I2.2K.Na.2H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-6-8-22(9-7-18)34(31,32)30-17-23(21-5-3-4-20(15-21)16-27)25-24(14-19(2)28-26(25)30)29-10-12-33-13-11-29;1-13-3-5-15(6-4-13)27(24,25)23-12-16(20)18-17(11-14(2)21-19(18)23)22-7-9-26-10-8-22;1-13-9-17(23-5-7-24-8-6-23)18-16(12-21-19(18)22-13)15-4-2-3-14(10-15)11-20;1-9-3-5-11(6-4-9)22(20,21)19-8-13(17)14-12(16)7-10(2)18-15(14)19;1-4-2-5(9)7-6(10)3-11-8(7)12-4;1-5-4-7(9)6-2-3-10-8(6)11-5;9-5-6-2-1-3-7(4-6)8(10)11;1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1;1-2;;;;;;/h1-2H3;1H,2H3;1-2H;1H,2H3;3-9,14-15,17H,10-13H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;2-4,9-10,12H,5-8H2,1H3,(H,21,22);3-8H,1-2H3;2-3H,1H3,(H,11,12);2-4H,1H3,(H,10,11);1-4,10-11H;2-5H,1H3;5H,1-4H2;;;;;2*1H2;/q;;;;;;;;;;;;;;3*+1;;;-1/p-2
InChIKeyBHSHNSAROTYSHV-UHFFFAOYSA-L
MW4682.50 g/mol
LogP16.73
Rot. Bonds13

About dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide

dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide (PubChem CID 158805408) has the molecular formula C251H128BCl4I5K2N19NaO16S4 and a molecular weight of 4682.50 g/mol. Its IUPAC name is dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide.

Molecular Properties

Compound Namedipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide
PubChem CID158805408
Molecular FormulaC251H128BCl4I5K2N19NaO16S4
Molecular Weight4682.50 g/mol
Exact Mass4677.19
IUPAC Namedipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1cc(Cl)c2c(I)c[nH]c2n1.Cc1cc(Cl)c2cc[nH]c2n1.Cc1cc(N2CCOCC2)c2c(-c3cccc(C#N)c3)c[nH]c2n1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(N4CCOCC4)cc(C)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)cc(C)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(N4CCOCC4)cc(C)nc32)cc1.II.N#Cc1cccc(B(O)O)c1.[H-].[K+].[K+].[Na+].[OH-].[OH-]
InChIInChI=1S/C36H6.C35H4.C34H2.C33H4.C26H24N4O3S.C19H20IN3O3S.C19H18N4O.C15H12ClIN2O2S.C8H6ClIN2.C8H7ClN2.C7H6BNO2.C7H7ClO2S.C4H9NO.I2.2K.Na.2H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-6-8-22(9-7-18)34(31,32)30-17-23(21-5-3-4-20(15-21)16-27)25-24(14-19(2)28-26(25)30)29-10-12-33-13-11-29;1-13-3-5-15(6-4-13)27(24,25)23-12-16(20)18-17(11-14(2)21-19(18)23)22-7-9-26-10-8-22;1-13-9-17(23-5-7-24-8-6-23)18-16(12-21-19(18)22-13)15-4-2-3-14(10-15)11-20;1-9-3-5-11(6-4-9)22(20,21)19-8-13(17)14-12(16)7-10(2)18-15(14)19;1-4-2-5(9)7-6(10)3-11-8(7)12-4;1-5-4-7(9)6-2-3-10-8(6)11-5;9-5-6-2-1-3-7(4-6)8(10)11;1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1;1-2;;;;;;/h1-2H3;1H,2H3;1-2H;1H,2H3;3-9,14-15,17H,10-13H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;2-4,9-10,12H,5-8H2,1H3,(H,21,22);3-8H,1-2H3;2-3H,1H3,(H,11,12);2-4H,1H3,(H,10,11);1-4,10-11H;2-5H,1H3;5H,1-4H2;;;;;2*1H2;/q;;;;;;;;;;;;;;3*+1;;;-1/p-2
InChIKeyBHSHNSAROTYSHV-UHFFFAOYSA-L
XLogP16.73
TPSA506.56 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds13
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004682.50
LogP ≤ 516.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide with MolForge

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Related Compounds

sodium;2-chloro-6-methyl-7-(4-methylphenyl)sulfonyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine;methanolate;6-methyl-7-(4-methylphenyl)sulfonyl-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;phenylboronic acid;2-(trifluoromethyl)pyridin-4-amine
CID 165016435
lithium;potassium;sodium;4-chloro-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;N-ethyl-N-propan-2-ylpropan-2-amine;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;hydride;4-[3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)morpholine;4-methylbenzenesulfonyl chloride;3-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)morpholine;molecular iodine;morpholine;3-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;dihydroxide
CID 157319805
2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;3-[6-methyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
CID 157328828
2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
CID 157410014
lithium;benzenesulfonyl chloride;4-[2-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-[2-chloro-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrrole-2-carbonitrile;4-(2-chloro-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpyrrole-2-carbonitrile;di(propan-2-yl)azanide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;penta-1,3-diyne;tetrabutylazanium;fluoride
CID 157587710
sodium;(4-aminophenyl)boronic acid;benzenesulfonyl chloride;7-(benzenesulfonyl)-4-chloro-6-iodopyrrolo[2,3-d]pyrimidine;7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(6-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;2-methylpropan-2-olate;morpholine;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline;oxolane
CID 157866103
2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;3-[6-methyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
CID 159142336
benzenesulfonyl chloride;7-(benzenesulfonyl)-4-chloro-6-iodopyrrolo[2,3-d]pyrimidine;7-(benzenesulfonyl)-4-chloro-6-phenylpyrrolo[2,3-d]pyrimidine;7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;carbanide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;palladium;phenylboronic acid
CID 159365537
2-[3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile;2-[3-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]acetonitrile;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-ethylpiperazin-1-yl)-3-fluoroaniline;2-[3-[2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile;2-[3-[2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
CID 160269434
CID 161168942
CID 161168942
sodium;(4-aminophenyl)boronic acid;benzenesulfonyl chloride;7-(benzenesulfonyl)-4-chloro-6-iodopyrrolo[2,3-d]pyrimidine;7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(6-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;methane;2-methylpropan-2-olate;morpholine;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline;oxolane
CID 161182993
dipotassium;sodium;but-2-yne;4-chloro-1H-pyrrolo[2,3-b]pyridine;(3-cyano-2-fluorophenyl)boronic acid;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoro-3-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;2-fluoro-3-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;hexa-1,3,5-triyne;hydride;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-4-yl)morpholine;4-methylbenzenesulfonyl chloride;molecular iodine;morpholine;penta-1,3-diyne;prop-1-yne;4-(1H-pyrrolo[2,3-b]pyridin-4-yl)morpholine;dihydroxide
CID 161648595

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide?
The IUPAC name of dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide (CID 158805408) is dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide.
What is the SMILES notation for dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide?
The canonical SMILES for dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1cc(Cl)c2c(I)c[nH]c2n1.Cc1cc(Cl)c2cc[nH]c2n1.Cc1cc(N2CCOCC2)c2c(-c3cccc(C#N)c3)c[nH]c2n1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(N4CCOCC4)cc(C)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)cc(C)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(N4CCOCC4)cc(C)nc32)cc1.II.N#Cc1cccc(B(O)O)c1.[H-].[K+].[K+].[Na+].[OH-].[OH-].
What is the InChIKey of dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide?
The InChIKey is BHSHNSAROTYSHV-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H6.C35H4.C34H2.C33H4.C26H24N4O3S.C19H20IN3O3S.C19H18N4O.C15H12ClIN2O2S.C8H6ClIN2.C8H7ClN2.C7H6BNO2.C7H7ClO2S.C4H9NO.I2.2K.Na.2H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-6-8-22(9-7-18)34(31,32)30-17-23(21-5-3-4-20(15-21)16-27)25-24(14-19(2)28-26(25)30)29-10-12-33-13-11-29;1-13-3-5-15(6-4-13)27(24,25)23-12-16(20)18-17(11-14(2)21-19(18)23)22-7-9-26-10-8-22;1-13-9-17(23-5-7-24-8-6-23)18-16(12-21-19(18)22-13)15-4-2-3-14(10-15)11-20;1-9-3-5-11(6-4-9)22(20,21)19-8-13(17)14-12(16)7-10(2)18-15(14)19;1-4-2-5(9)7-6(10)3-11-8(7)12-4;1-5-4-7(9)6-2-3-10-8(6)11-5;9-5-6-2-1-3-7(4-6)8(10)11;1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1;1-2;;;;;;/h1-2H3;1H,2H3;1-2H;1H,2H3;3-9,14-15,17H,10-13H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;2-4,9-10,12H,5-8H2,1H3,(H,21,22);3-8H,1-2H3;2-3H,1H3,(H,11,12);2-4H,1H3,(H,10,11);1-4,10-11H;2-5H,1H3;5H,1-4H2;;;;;2*1H2;/q;;;;;;;;;;;;;;3*+1;;;-1/p-2.
What are the key properties of dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide?
dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide has a molecular weight of 4682.50 g/mol, XLogP of 16.73, 13 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hydride;4-[3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;4-methylbenzenesulfonyl chloride;3-[6-methyl-1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile;3-(6-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile;molecular iodine;morpholine;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;dihydroxide is sourced from PubChem (CID 158805408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).