5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride

C137H194BBr5Cl4N22O21S3Si3 — CID 160593601

IUPAC5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCCl.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12
InChIInChI=1S/C29H49BN4O5Si.C24H29BrN4O4S.C23H37BrN4O3Si.C17H23BrN4O2.C14H10BrClN2O2S.C10H20N2O2.C7H4BrClN2.C7H7ClO2S.C6H15ClOSi/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-16-7-9-18(10-8-16)34(31,32)29-13-11-19-21(20(25)14-26-22(19)29)27-17-6-5-12-28(15-17)23(30)33-24(2,3)4;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;1-17(2,3)24-16(23)22-8-4-5-11(10-22)21-14-12-6-7-19-15(12)20-9-13(14)18;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;8-5-3-11-7-4(6(5)9)1-2-10-7;1-6-2-4-7(5-3-6)11(8,9)10;1-9(2,3)5-4-8-6-7/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);7-11,13-14,17H,5-6,12,15H2,1-4H3,(H,26,27);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21);2-8H,1H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11);2-5H,1H3;4-6H2,1-3H3/t21-;2*17-;11-;;8-;;;/m1111.1.../s1
InChIKeyRDINLPQJYFXNPR-GQZOQFSPSA-N
MW3217.79 g/mol
LogP33.46
Rot. Bonds28

About 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride

5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride (PubChem CID 160593601) has the molecular formula C137H194BBr5Cl4N22O21S3Si3 and a molecular weight of 3217.79 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride
PubChem CID160593601
Molecular FormulaC137H194BBr5Cl4N22O21S3Si3
Molecular Weight3217.79 g/mol
Exact Mass3208.80
IUPAC Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCCl.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12
InChIInChI=1S/C29H49BN4O5Si.C24H29BrN4O4S.C23H37BrN4O3Si.C17H23BrN4O2.C14H10BrClN2O2S.C10H20N2O2.C7H4BrClN2.C7H7ClO2S.C6H15ClOSi/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-16-7-9-18(10-8-16)34(31,32)29-13-11-19-21(20(25)14-26-22(19)29)27-17-6-5-12-28(15-17)23(30)33-24(2,3)4;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;1-17(2,3)24-16(23)22-8-4-5-11(10-22)21-14-12-6-7-19-15(12)20-9-13(14)18;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;8-5-3-11-7-4(6(5)9)1-2-10-7;1-6-2-4-7(5-3-6)11(8,9)10;1-9(2,3)5-4-8-6-7/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);7-11,13-14,17H,5-6,12,15H2,1-4H3,(H,26,27);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21);2-8H,1H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11);2-5H,1H3;4-6H2,1-3H3/t21-;2*17-;11-;;8-;;;/m1111.1.../s1
InChIKeyRDINLPQJYFXNPR-GQZOQFSPSA-N
XLogP33.46
TPSA499.05 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003217.79
LogP ≤ 533.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride?
The IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride (CID 160593601) is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCCl.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.Clc1c(Br)cnc2[nH]ccc12.
What is the InChIKey of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride?
The InChIKey is RDINLPQJYFXNPR-GQZOQFSPSA-N. The full InChI is InChI=1S/C29H49BN4O5Si.C24H29BrN4O4S.C23H37BrN4O3Si.C17H23BrN4O2.C14H10BrClN2O2S.C10H20N2O2.C7H4BrClN2.C7H7ClO2S.C6H15ClOSi/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-16-7-9-18(10-8-16)34(31,32)29-13-11-19-21(20(25)14-26-22(19)29)27-17-6-5-12-28(15-17)23(30)33-24(2,3)4;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;1-17(2,3)24-16(23)22-8-4-5-11(10-22)21-14-12-6-7-19-15(12)20-9-13(14)18;1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;8-5-3-11-7-4(6(5)9)1-2-10-7;1-6-2-4-7(5-3-6)11(8,9)10;1-9(2,3)5-4-8-6-7/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);7-11,13-14,17H,5-6,12,15H2,1-4H3,(H,26,27);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21);2-8H,1H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11);2-5H,1H3;4-6H2,1-3H3/t21-;2*17-;11-;;8-;;;/m1111.1.../s1.
What are the key properties of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride?
5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride has a molecular weight of 3217.79 g/mol, XLogP of 33.46, 28 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 160593601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).