3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine

C160H150Br5N29O17S5Si3 — CID 161233303

About 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine (PubChem CID 161233303) has the molecular formula C160H150Br5N29O17S5Si3 and a molecular weight of 3395.26 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine.

Molecular Properties

• Compound Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine
• PubChem CID: 161233303
• Molecular Formula: C160H150Br5N29O17S5Si3
• Molecular Weight: 3395.26 g/mol
• Exact Mass: 3387.56
• IUPAC Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine
• SMILES: Brc1cnc2[nH]cc(-c3ccoc3)c2c1.Brc1cnc2[nH]cc(-c3cnco3)c2c1.CN(C)c1ccc(-c2cnc3c(c2)c(N2CCOCC2)cn3COCC[Si](C)(C)C)cc1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1ccoc1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnn(S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1cc(-c2cn(OOSc3ccccc3)c3ncc(Br)cc23)cn1.c1ccc(SOOn2cc(-c3cn[nH]c3)c3cc(N4CCOCC4)cnc32)cc1.c1ccc(SOOn2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3cc(N4CCOCC4)cnc32)cc1
• InChI: InChI=1S/C39H33N5O3S.C25H36N4O2Si.C22H15BrN4O4S2.C20H19N5O3S.C19H19BrN4O2SSi.C14H15BrN2OSi.C11H7BrN2O.C10H6BrN3O/c1-5-13-31(14-6-1)39(32-15-7-2-8-16-32,33-17-9-3-10-18-33)44-28-30(26-41-44)37-29-43(46-47-48-35-19-11-4-12-20-35)38-36(37)25-34(27-40-38)42-21-23-45-24-22-42;1-27(2)22-8-6-20(7-9-22)21-16-23-24(28-10-12-30-13-11-28)18-29(25(23)26-17-21)19-31-14-15-32(3,4)5;23-17-11-20-21(16-12-25-27(14-16)33(28,29)19-9-5-2-6-10-19)15-26(22(20)24-13-17)30-31-32-18-7-3-1-4-8-18;1-2-4-17(5-3-1)29-28-27-25-14-19(15-11-22-23-12-15)18-10-16(13-21-20(18)25)24-6-8-26-9-7-24;1-28(2,3)19-17(16-9-14(20)11-21-18(16)23-19)13-10-22-24(12-13)27(25,26)15-7-5-4-6-8-15;1-19(2,3)14-12(9-4-5-18-8-9)11-6-10(15)7-16-13(11)17-14;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-20,25-29H,21-24H2;6-9,16-18H,10-15,19H2,1-5H3;1-15H;1-5,10-14H,6-9H2,(H,22,23);4-12H,1-3H3,(H,21,23);4-8H,1-3H3,(H,16,17);1-6H,(H,13,14);1-5H,(H,13,14)
• InChIKey: UZASVWDDFLASFN-UHFFFAOYSA-N
• XLogP: 35.53
• TPSA: 493.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 39
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3395.26
LogP ≤ 5	35.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine?

The IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine (CID 161233303) is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine.

What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine?

The canonical SMILES for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine is Brc1cnc2[nH]cc(-c3ccoc3)c2c1.Brc1cnc2[nH]cc(-c3cnco3)c2c1.CN(C)c1ccc(-c2cnc3c(c2)c(N2CCOCC2)cn3COCC[Si](C)(C)C)cc1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1ccoc1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnn(S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1cc(-c2cn(OOSc3ccccc3)c3ncc(Br)cc23)cn1.c1ccc(SOOn2cc(-c3cn[nH]c3)c3cc(N4CCOCC4)cnc32)cc1.c1ccc(SOOn2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3cc(N4CCOCC4)cnc32)cc1.

What is the InChIKey of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine?

The InChIKey is UZASVWDDFLASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N5O3S.C25H36N4O2Si.C22H15BrN4O4S2.C20H19N5O3S.C19H19BrN4O2SSi.C14H15BrN2OSi.C11H7BrN2O.C10H6BrN3O/c1-5-13-31(14-6-1)39(32-15-7-2-8-16-32,33-17-9-3-10-18-33)44-28-30(26-41-44)37-29-43(46-47-48-35-19-11-4-12-20-35)38-36(37)25-34(27-40-38)42-21-23-45-24-22-42;1-27(2)22-8-6-20(7-9-22)21-16-23-24(28-10-12-30-13-11-28)18-29(25(23)26-17-21)19-31-14-15-32(3,4)5;23-17-11-20-21(16-12-25-27(14-16)33(28,29)19-9-5-2-6-10-19)15-26(22(20)24-13-17)30-31-32-18-7-3-1-4-8-18;1-2-4-17(5-3-1)29-28-27-25-14-19(15-11-22-23-12-15)18-10-16(13-21-20(18)25)24-6-8-26-9-7-24;1-28(2,3)19-17(16-9-14(20)11-21-18(16)23-19)13-10-22-24(12-13)27(25,26)15-7-5-4-6-8-15;1-19(2,3)14-12(9-4-5-18-8-9)11-6-10(15)7-16-13(11)17-14;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-20,25-29H,21-24H2;6-9,16-18H,10-15,19H2,1-5H3;1-15H;1-5,10-14H,6-9H2,(H,22,23);4-12H,1-3H3,(H,21,23);4-8H,1-3H3,(H,16,17);1-6H,(H,13,14);1-5H,(H,13,14).

What are the key properties of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine?

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine has a molecular weight of 3395.26 g/mol, XLogP of 35.53, 39 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;N,N-dimethyl-4-[3-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 161233303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).