1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride

C104H73Br3Cl2I4N22O14S5 — CID 161476201

IUPAC1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride
SMILESBrc1cnc2[nH]cc(I)c2c1.Cl.Cl.N#Cc1cnc2[nH]cc(I)c2c1.N#Cc1cnc2[nH]ccc2c1.N#Cc1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1.N#Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21.[H]/N=C(\OCC)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12.[H]/N=C(\OCC)c1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17N3O4S.C18H11N3O3S.C16H14BrN3O3S.C14H8IN3O2S.C13H8BrIN2O2S.C8H4IN3.C8H5N3.C7H4BrIN2.2ClH/c1-2-27-19(21)15-10-17-18(14-8-9-26-13-14)12-23(20(17)22-11-15)28(24,25)16-6-4-3-5-7-16;19-9-13-8-16-17(14-6-7-24-12-14)11-21(18(16)20-10-13)25(22,23)15-4-2-1-3-5-15;1-2-23-15(18)14-10-20(16-13(14)8-11(17)9-19-16)24(21,22)12-6-4-3-5-7-12;15-13-9-18(14-12(13)6-10(7-16)8-17-14)21(19,20)11-4-2-1-3-5-11;14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10;9-7-4-12-8-6(7)1-5(2-10)3-11-8;9-4-6-3-7-1-2-10-8(7)11-5-6;8-4-1-5-6(9)3-11-7(5)10-2-4;;/h3-13,21H,2H2,1H3;1-8,10-12H;3-10,18H,2H2,1H3;1-6,8-9H;1-8H;1,3-4H,(H,11,12);1-3,5H,(H,10,11);1-3H,(H,10,11);2*1H/b21-19-;;18-15-;;;;;;;
InChIKeyNPNTWBAXSZDKQF-VGCVIETRSA-N
MW2833.44 g/mol
LogP24.34
Rot. Bonds16

About 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride

1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride (PubChem CID 161476201) has the molecular formula C104H73Br3Cl2I4N22O14S5 and a molecular weight of 2833.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride
PubChem CID161476201
Molecular FormulaC104H73Br3Cl2I4N22O14S5
Molecular Weight2833.44 g/mol
Exact Mass2827.74
IUPAC Name1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride
SMILESBrc1cnc2[nH]cc(I)c2c1.Cl.Cl.N#Cc1cnc2[nH]cc(I)c2c1.N#Cc1cnc2[nH]ccc2c1.N#Cc1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1.N#Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21.[H]/N=C(\OCC)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12.[H]/N=C(\OCC)c1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17N3O4S.C18H11N3O3S.C16H14BrN3O3S.C14H8IN3O2S.C13H8BrIN2O2S.C8H4IN3.C8H5N3.C7H4BrIN2.2ClH/c1-2-27-19(21)15-10-17-18(14-8-9-26-13-14)12-23(20(17)22-11-15)28(24,25)16-6-4-3-5-7-16;19-9-13-8-16-17(14-6-7-24-12-14)11-21(18(16)20-10-13)25(22,23)15-4-2-1-3-5-15;1-2-23-15(18)14-10-20(16-13(14)8-11(17)9-19-16)24(21,22)12-6-4-3-5-7-12;15-13-9-18(14-12(13)6-10(7-16)8-17-14)21(19,20)11-4-2-1-3-5-11;14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10;9-7-4-12-8-6(7)1-5(2-10)3-11-8;9-4-6-3-7-1-2-10-8(7)11-5-6;8-4-1-5-6(9)3-11-7(5)10-2-4;;/h3-13,21H,2H2,1H3;1-8,10-12H;3-10,18H,2H2,1H3;1-6,8-9H;1-8H;1,3-4H,(H,11,12);1-3,5H,(H,10,11);1-3H,(H,10,11);2*1H/b21-19-;;18-15-;;;;;;;
InChIKeyNPNTWBAXSZDKQF-VGCVIETRSA-N
XLogP24.34
TPSA533.44 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002833.44
LogP ≤ 524.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride with MolForge

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Related Compounds

1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 157121502
3-dibenzofuran-4-yl-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;3-[2-(phenoxymethyl)phenyl]-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-phenoxyphenyl)-5-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 157198599
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
3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde;methane
CID 157796114
1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;hydrochloride
CID 158878331
potassium;sodium;benzenesulfonyl chloride;bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);furan-3-ylboronic acid;4-[3-(furan-3-yl)-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;methane;molecular iodine;dihydroxide
CID 159005658
5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 159045034
1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 159501521
CID 159526250
CID 159526250
potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide;dihydrochloride
CID 159851185
sodium;5-bromo-3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[3-[3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;methane;[1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid;hydroxide
CID 160234783
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;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 160885896

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride (CID 161476201) is 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride is Brc1cnc2[nH]cc(I)c2c1.Cl.Cl.N#Cc1cnc2[nH]cc(I)c2c1.N#Cc1cnc2[nH]ccc2c1.N#Cc1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1.N#Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21.[H]/N=C(\OCC)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12.[H]/N=C(\OCC)c1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride?
The InChIKey is NPNTWBAXSZDKQF-VGCVIETRSA-N. The full InChI is InChI=1S/C20H17N3O4S.C18H11N3O3S.C16H14BrN3O3S.C14H8IN3O2S.C13H8BrIN2O2S.C8H4IN3.C8H5N3.C7H4BrIN2.2ClH/c1-2-27-19(21)15-10-17-18(14-8-9-26-13-14)12-23(20(17)22-11-15)28(24,25)16-6-4-3-5-7-16;19-9-13-8-16-17(14-6-7-24-12-14)11-21(18(16)20-10-13)25(22,23)15-4-2-1-3-5-15;1-2-23-15(18)14-10-20(16-13(14)8-11(17)9-19-16)24(21,22)12-6-4-3-5-7-12;15-13-9-18(14-12(13)6-10(7-16)8-17-14)21(19,20)11-4-2-1-3-5-11;14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10;9-7-4-12-8-6(7)1-5(2-10)3-11-8;9-4-6-3-7-1-2-10-8(7)11-5-6;8-4-1-5-6(9)3-11-7(5)10-2-4;;/h3-13,21H,2H2,1H3;1-8,10-12H;3-10,18H,2H2,1H3;1-6,8-9H;1-8H;1,3-4H,(H,11,12);1-3,5H,(H,10,11);1-3H,(H,10,11);2*1H/b21-19-;;18-15-;;;;;;;.
What are the key properties of 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride?
1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride has a molecular weight of 2833.44 g/mol, XLogP of 24.34, 16 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;dihydrochloride is sourced from PubChem (CID 161476201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).