1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C63H52Br2N10O8S2 — CID 161292216

IUPAC1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncccc12.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc1OC.O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1
InChIInChI=1S/C21H18N2O4S.C15H14N2O2.C13H9BrN2O2S.C7H5BrN2.C7H6N2/c1-26-19-11-10-15(13-20(19)27-2)18-14-23(21-17(18)9-6-12-22-21)28(24,25)16-7-4-3-5-8-16;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h3-14H,1-2H3;3-9H,1-2H3,(H,16,17);1-9H;1-4H,(H,9,10);1-5H,(H,8,9)
InChIKeyVGMUNHZORGSSCZ-UHFFFAOYSA-N
MW1301.11 g/mol
LogP14.13
Rot. Bonds10

About 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 161292216) has the molecular formula C63H52Br2N10O8S2 and a molecular weight of 1301.11 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
PubChem CID161292216
Molecular FormulaC63H52Br2N10O8S2
Molecular Weight1301.11 g/mol
Exact Mass1298.18
IUPAC Name1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncccc12.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc1OC.O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1
InChIInChI=1S/C21H18N2O4S.C15H14N2O2.C13H9BrN2O2S.C7H5BrN2.C7H6N2/c1-26-19-11-10-15(13-20(19)27-2)18-14-23(21-17(18)9-6-12-22-21)28(24,25)16-7-4-3-5-8-16;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h3-14H,1-2H3;3-9H,1-2H3,(H,16,17);1-9H;1-4H,(H,9,10);1-5H,(H,8,9)
InChIKeyVGMUNHZORGSSCZ-UHFFFAOYSA-N
XLogP14.13
TPSA226.88 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.11
LogP ≤ 514.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;[5-(morpholin-4-ylmethyl)thiophen-2-yl]boronic acid
CID 158172016
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]pyrrolidine
CID 159328449
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;[3-[tert-butyl(methyl)sulfamoyl]phenyl]boronic acid
CID 159352879
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine
CID 159806118
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine
CID 160074746
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;[3-[tert-butyl(methyl)sulfamoyl]phenyl]boronic acid
CID 160554891
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;tert-butyl 4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161306165
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]pyrrolidine
CID 161513678
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]pyrrolidine
CID 161661255
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;[5-(piperidin-1-ylmethyl)thiophen-2-yl]boronic acid
CID 161927917
1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;5-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;4-bromo-1H-pyrrolo[2,3-b]pyridine;methane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 157297081
5-bromo-3-(3-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;(3-pyrrolidin-1-ylsulfonylphenyl)boronic acid
CID 157931939

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 161292216) is 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncccc12.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc1OC.O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VGMUNHZORGSSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S.C15H14N2O2.C13H9BrN2O2S.C7H5BrN2.C7H6N2/c1-26-19-11-10-15(13-20(19)27-2)18-14-23(21-17(18)9-6-12-22-21)28(24,25)16-7-4-3-5-8-16;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h3-14H,1-2H3;3-9H,1-2H3,(H,16,17);1-9H;1-4H,(H,9,10);1-5H,(H,8,9).
What are the key properties of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1301.11 g/mol, XLogP of 14.13, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161292216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).