1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate

C103H80Br3N15O13S5 — CID 160528319

IUPAC1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21
InChIInChI=1S/C35H25BrN4O2S.C25H21N3O3S.C22H15BrN4O4S2.C21H19BrN4O4S/c36-30-21-32-33(25-39(34(32)37-23-30)43(41,42)31-19-11-4-12-20-31)26-22-38-40(24-26)35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29;1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-31-17-19)16-28(25(23)26-15-20)32(29,30)22-6-4-3-5-7-22;23-17-11-20-21(16-12-25-27(14-16)33(30,31)19-9-5-2-6-10-19)15-26(22(20)24-13-17)32(28,29)18-7-3-1-4-8-18;1-21(2,3)30-20(27)25-12-14(10-24-25)18-13-26(19-17(18)9-15(22)11-23-19)31(28,29)16-7-5-4-6-8-16/h1-25H;3-17H,1-2H3;1-15H;4-13H,1-3H3
InChIKeyQVEVOMQIFWFHKN-UHFFFAOYSA-N
MW2135.91 g/mol
LogP21.82
Rot. Bonds20

About 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate

1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate (PubChem CID 160528319) has the molecular formula C103H80Br3N15O13S5 and a molecular weight of 2135.91 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate
PubChem CID160528319
Molecular FormulaC103H80Br3N15O13S5
Molecular Weight2135.91 g/mol
Exact Mass2131.22
IUPAC Name1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21
InChIInChI=1S/C35H25BrN4O2S.C25H21N3O3S.C22H15BrN4O4S2.C21H19BrN4O4S/c36-30-21-32-33(25-39(34(32)37-23-30)43(41,42)31-19-11-4-12-20-31)26-22-38-40(24-26)35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29;1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-31-17-19)16-28(25(23)26-15-20)32(29,30)22-6-4-3-5-7-22;23-17-11-20-21(16-12-25-27(14-16)33(30,31)19-9-5-2-6-10-19)15-26(22(20)24-13-17)32(28,29)18-7-3-1-4-8-18;1-21(2,3)30-20(27)25-12-14(10-24-25)18-13-26(19-17(18)9-15(22)11-23-19)31(28,29)16-7-5-4-6-8-16/h1-25H;3-17H,1-2H3;1-15H;4-13H,1-3H3
InChIKeyQVEVOMQIFWFHKN-UHFFFAOYSA-N
XLogP21.82
TPSA338.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002135.91
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate with MolForge

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Related Compounds

1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
CID 157099725
1-(Benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 157150480
3-Bromo-2-ethoxy-5-(1-methylpyrazol-3-yl)pyridine;bis(2-ethoxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
CID 157377303
1-(benzenesulfonyl)-3-(furan-3-yl)-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane
CID 157404615
1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 158571626
4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3S)-piperidin-3-yl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159935726
1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)imidazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]imidazole-1-carboxylate
CID 162181621

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate?
The IUPAC name of 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate (CID 160528319) is 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate?
The canonical SMILES for 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate is CC(C)(C)OC(=O)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)cc1.O=S(=O)(c1ccccc1)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate?
The InChIKey is QVEVOMQIFWFHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25BrN4O2S.C25H21N3O3S.C22H15BrN4O4S2.C21H19BrN4O4S/c36-30-21-32-33(25-39(34(32)37-23-30)43(41,42)31-19-11-4-12-20-31)26-22-38-40(24-26)35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29;1-27(2)21-10-8-18(9-11-21)20-14-23-24(19-12-13-31-17-19)16-28(25(23)26-15-20)32(29,30)22-6-4-3-5-7-22;23-17-11-20-21(16-12-25-27(14-16)33(30,31)19-9-5-2-6-10-19)15-26(22(20)24-13-17)32(28,29)18-7-3-1-4-8-18;1-21(2,3)30-20(27)25-12-14(10-24-25)18-13-26(19-17(18)9-15(22)11-23-19)31(28,29)16-7-5-4-6-8-16/h1-25H;3-17H,1-2H3;1-15H;4-13H,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate?
1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate has a molecular weight of 2135.91 g/mol, XLogP of 21.82, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate is sourced from PubChem (CID 160528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).