3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C62H42Br2Cl6N16O4S2 — CID 159507247

IUPAC3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncccc12.Cc1ccc(S(=O)(=O)n2cc(-c3nc(Cl)ncc3Cl)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.Clc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1.Cn1cc(-c2nc(Cl)ncc2Cl)c2cccnc21
InChIInChI=1S/C18H12Cl2N4O2S.C14H11BrN2O2S.C12H8Cl2N4.C11H6Cl2N4.C7H5BrN2/c1-11-4-6-12(7-5-11)27(25,26)24-10-14(13-3-2-8-21-17(13)24)16-15(19)9-22-18(20)23-16;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-18-6-8(7-3-2-4-15-11(7)18)10-9(13)5-16-12(14)17-10;12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10;8-6-4-10-7-5(6)2-1-3-9-7/h2-10H,1H3;2-9H,1H3;2-6H,1H3;1-5H,(H,14,15);1-4H,(H,9,10)
InChIKeyMADOKKDXCFNYGJ-UHFFFAOYSA-N
MW1511.79 g/mol
LogP16.68
Rot. Bonds7

About 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159507247) has the molecular formula C62H42Br2Cl6N16O4S2 and a molecular weight of 1511.79 g/mol. Its IUPAC name is 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID159507247
Molecular FormulaC62H42Br2Cl6N16O4S2
Molecular Weight1511.79 g/mol
Exact Mass1505.95
IUPAC Name3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncccc12.Cc1ccc(S(=O)(=O)n2cc(-c3nc(Cl)ncc3Cl)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.Clc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1.Cn1cc(-c2nc(Cl)ncc2Cl)c2cccnc21
InChIInChI=1S/C18H12Cl2N4O2S.C14H11BrN2O2S.C12H8Cl2N4.C11H6Cl2N4.C7H5BrN2/c1-11-4-6-12(7-5-11)27(25,26)24-10-14(13-3-2-8-21-17(13)24)16-15(19)9-22-18(20)23-16;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-18-6-8(7-3-2-4-15-11(7)18)10-9(13)5-16-12(14)17-10;12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10;8-6-4-10-7-5(6)2-1-3-9-7/h2-10H,1H3;2-9H,1H3;2-6H,1H3;1-5H,(H,14,15);1-4H,(H,9,10)
InChIKeyMADOKKDXCFNYGJ-UHFFFAOYSA-N
XLogP16.68
TPSA256.44 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.79
LogP ≤ 516.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine;4-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 157324799
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
(3R)-1-benzylpiperidin-3-amine;N-[(3R)-1-benzylpiperidin-3-yl]-5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-N-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;2-cyanoacetic acid;4-methylbenzenesulfonyl chloride
CID 157309649
5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;5-bromo-1-methyl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;3-bromo-5-pyridin-3-yl-7H-cyclopenta[b]pyridine;1-methyl-3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 157498951
CID 157623901
CID 157623901
6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine
CID 157652870
1-benzyl-5-bromopyrrolo[2,3-b]pyridine-3-sulfonyl chloride;1-[(1-benzyl-5-bromopyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazolo[5,4-b]pyridine;1-[[1-benzyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine;1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine
CID 157684316
3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;bis(5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;2,6-dibromopyridine;ethynyl(trimethyl)silane
CID 157693024
potassium;5-bromo-4-chloro-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridin-4-amine;4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane;fluoride
CID 158178089
dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate
CID 158226022
sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158244194

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159507247) is 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncccc12.Cc1ccc(S(=O)(=O)n2cc(-c3nc(Cl)ncc3Cl)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.Clc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1.Cn1cc(-c2nc(Cl)ncc2Cl)c2cccnc21.
What is the InChIKey of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MADOKKDXCFNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S.C14H11BrN2O2S.C12H8Cl2N4.C11H6Cl2N4.C7H5BrN2/c1-11-4-6-12(7-5-11)27(25,26)24-10-14(13-3-2-8-21-17(13)24)16-15(19)9-22-18(20)23-16;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-18-6-8(7-3-2-4-15-11(7)18)10-9(13)5-16-12(14)17-10;12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10;8-6-4-10-7-5(6)2-1-3-9-7/h2-10H,1H3;2-9H,1H3;2-6H,1H3;1-5H,(H,14,15);1-4H,(H,9,10).
What are the key properties of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1511.79 g/mol, XLogP of 16.68, 7 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1-methylpyrrolo[2,3-b]pyridine;3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159507247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).