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

C241H152BCl2I4KLiN22NaO16S3 — CID 157319805

IUPAClithium;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
SMILESC#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#C.C#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.CCN(C(C)C)C(C)C.Cc1[nH]c2nccc(N3CCOCC3)c2c1I.Cc1cc2c(N3CCOCC3)ccnc2[nH]1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(I)c3c(N4CCOCC4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(N4CCOCC4)ccnc32)cc1.Clc1ccnc2[nH]ccc12.II.N#Cc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1.N#Cc1cccc(B(O)O)c1.[H-].[K+].[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C32H6.C31H4.C30H2.C29H4.C25H22N4O3S.C19H20IN3O3S.C18H16N4O.C12H14IN3O.C12H15N3O.C8H19N.C7H6BNO2.C7H5ClN2.C7H7ClO2S.C4H9NO.I2.K.Li.Na.2H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-5-7-21(8-6-18)33(30,31)29-17-22(20-4-2-3-19(15-20)16-26)24-23(9-10-27-25(24)29)28-11-13-32-14-12-28;1-13-3-5-15(6-4-13)27(24,25)23-14(2)18(20)17-16(7-8-21-19(17)23)22-9-11-26-12-10-22;19-11-13-2-1-3-14(10-13)15-12-21-18-17(15)16(4-5-20-18)22-6-8-23-9-7-22;1-8-11(13)10-9(2-3-14-12(10)15-8)16-4-6-17-7-5-16;1-9-8-10-11(2-3-13-12(10)14-9)15-4-6-16-7-5-15;1-6-9(7(2)3)8(4)5;9-5-6-2-1-3-7(4-6)8(10)11;8-6-2-4-10-7-5(6)1-3-9-7;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;2-10,15,17H,11-14H2,1H3;3-8H,9-12H2,1-2H3;1-5,10,12H,6-9H2,(H,20,21);2-3H,4-7H2,1H3,(H,14,15);2-3,8H,4-7H2,1H3,(H,13,14);7-8H,6H2,1-5H3;1-4,10-11H;1-4H,(H,9,10);2-5H,1H3;5H,1-4H2;;;;;2*1H2;/q;;;;;;;;;;;;;;;3*+1;;;-1/p-2
InChIKeyMOZNETUKJLUKHD-UHFFFAOYSA-L
MW4366.57 g/mol
LogP14.64
Rot. Bonds16

About 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

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 (PubChem CID 157319805) has the molecular formula C241H152BCl2I4KLiN22NaO16S3 and a molecular weight of 4366.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID157319805
Molecular FormulaC241H152BCl2I4KLiN22NaO16S3
Molecular Weight4366.57 g/mol
Exact Mass4362.63
IUPAC Namelithium;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
SMILESC#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#C.C#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.CCN(C(C)C)C(C)C.Cc1[nH]c2nccc(N3CCOCC3)c2c1I.Cc1cc2c(N3CCOCC3)ccnc2[nH]1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(I)c3c(N4CCOCC4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(N4CCOCC4)ccnc32)cc1.Clc1ccnc2[nH]ccc12.II.N#Cc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1.N#Cc1cccc(B(O)O)c1.[H-].[K+].[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C32H6.C31H4.C30H2.C29H4.C25H22N4O3S.C19H20IN3O3S.C18H16N4O.C12H14IN3O.C12H15N3O.C8H19N.C7H6BNO2.C7H5ClN2.C7H7ClO2S.C4H9NO.I2.K.Li.Na.2H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-5-7-21(8-6-18)33(30,31)29-17-22(20-4-2-3-19(15-20)16-26)24-23(9-10-27-25(24)29)28-11-13-32-14-12-28;1-13-3-5-15(6-4-13)27(24,25)23-14(2)18(20)17-16(7-8-21-19(17)23)22-9-11-26-12-10-22;19-11-13-2-1-3-14(10-13)15-12-21-18-17(15)16(4-5-20-18)22-6-8-23-9-7-22;1-8-11(13)10-9(2-3-14-12(10)15-8)16-4-6-17-7-5-16;1-9-8-10-11(2-3-13-12(10)14-9)15-4-6-16-7-5-15;1-6-9(7(2)3)8(4)5;9-5-6-2-1-3-7(4-6)8(10)11;8-6-2-4-10-7-5(6)1-3-9-7;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;2-10,15,17H,11-14H2,1H3;3-8H,9-12H2,1-2H3;1-5,10,12H,6-9H2,(H,20,21);2-3H,4-7H2,1H3,(H,14,15);2-3,8H,4-7H2,1H3,(H,13,14);7-8H,6H2,1-5H3;1-4,10-11H;1-4H,(H,9,10);2-5H,1H3;5H,1-4H2;;;;;2*1H2;/q;;;;;;;;;;;;;;;3*+1;;;-1/p-2
InChIKeyMOZNETUKJLUKHD-UHFFFAOYSA-L
XLogP14.64
TPSA511.46 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004366.57
LogP ≤ 514.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 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 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
carbanide;(3R)-4-[4-chloro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;ethane;tungsten
CID 157155441
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
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
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
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
carbanide;(3R)-4-[4-chloro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;ethane;tungsten
CID 160322876
4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride
CID 160937727
CID 161168942
CID 161168942

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#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#C.C#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.CCN(C(C)C)C(C)C.Cc1[nH]c2nccc(N3CCOCC3)c2c1I.Cc1cc2c(N3CCOCC3)ccnc2[nH]1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(I)c3c(N4CCOCC4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(N4CCOCC4)ccnc32)cc1.Clc1ccnc2[nH]ccc12.II.N#Cc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1.N#Cc1cccc(B(O)O)c1.[H-].[K+].[Li+].[Na+].[OH-].[OH-].
What is the InChIKey of 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?
The InChIKey is MOZNETUKJLUKHD-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H6.C31H4.C30H2.C29H4.C25H22N4O3S.C19H20IN3O3S.C18H16N4O.C12H14IN3O.C12H15N3O.C8H19N.C7H6BNO2.C7H5ClN2.C7H7ClO2S.C4H9NO.I2.K.Li.Na.2H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-5-7-21(8-6-18)33(30,31)29-17-22(20-4-2-3-19(15-20)16-26)24-23(9-10-27-25(24)29)28-11-13-32-14-12-28;1-13-3-5-15(6-4-13)27(24,25)23-14(2)18(20)17-16(7-8-21-19(17)23)22-9-11-26-12-10-22;19-11-13-2-1-3-14(10-13)15-12-21-18-17(15)16(4-5-20-18)22-6-8-23-9-7-22;1-8-11(13)10-9(2-3-14-12(10)15-8)16-4-6-17-7-5-16;1-9-8-10-11(2-3-13-12(10)14-9)15-4-6-16-7-5-15;1-6-9(7(2)3)8(4)5;9-5-6-2-1-3-7(4-6)8(10)11;8-6-2-4-10-7-5(6)1-3-9-7;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;2-10,15,17H,11-14H2,1H3;3-8H,9-12H2,1-2H3;1-5,10,12H,6-9H2,(H,20,21);2-3H,4-7H2,1H3,(H,14,15);2-3,8H,4-7H2,1H3,(H,13,14);7-8H,6H2,1-5H3;1-4,10-11H;1-4H,(H,9,10);2-5H,1H3;5H,1-4H2;;;;;2*1H2;/q;;;;;;;;;;;;;;;3*+1;;;-1/p-2.
What are the key properties of 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?
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 has a molecular weight of 4366.57 g/mol, XLogP of 14.64, 16 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157319805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).