5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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

C151H138N22O14S4Si — CID 157414944

About 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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

5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 157414944) has the molecular formula C151H138N22O14S4Si and a molecular weight of 2641.26 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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: 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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: 157414944
• Molecular Formula: C151H138N22O14S4Si
• Molecular Weight: 2641.26 g/mol
• Exact Mass: 2638.94
• IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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: CN(C)c1ccc(-c2cnc3c(c2)c(N2CCOCC2)cn3COCC[Si](C)(C)C)cc1.c1ccc(SOOn2cc(-c3cn[nH]c3)c3cc(-c4ccc5c(c4)CCO5)cnc32)cc1.c1ccc(SOOn2cc(-c3cn[nH]c3)c3cc(N4CCOCC4)cnc32)cc1.c1ccc(SOOn2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3cc(-c4ccc5c(c4)CCO5)cnc32)cc1.c1ccc(SOOn2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3cc(N4CCOCC4)cnc32)cc1
• InChI: InChI=1S/C43H32N4O3S.C39H33N5O3S.C25H36N4O2Si.C24H18N4O3S.C20H19N5O3S/c1-5-13-35(14-6-1)43(36-15-7-2-8-16-36,37-17-9-3-10-18-37)47-29-34(28-45-47)40-30-46(49-50-51-38-19-11-4-12-20-38)42-39(40)26-33(27-44-42)31-21-22-41-32(25-31)23-24-48-41;1-5-13-31(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;1-2-4-20(5-3-1)32-31-30-28-15-22(19-13-26-27-14-19)21-11-18(12-25-24(21)28)16-6-7-23-17(10-16)8-9-29-23;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/h1-22,25-30H,23-24H2;1-20,25-29H,21-24H2;6-9,16-18H,10-15,19H2,1-5H3;1-7,10-15H,8-9H2,(H,26,27);1-5,10-14H,6-9H2,(H,22,23)
• InChIKey: BOSRZTVEADCUII-UHFFFAOYSA-N
• XLogP: 30.40
• TPSA: 324.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2641.26
LogP ≤ 5	30.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

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 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 157414944) is 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 CN(C)c1ccc(-c2cnc3c(c2)c(N2CCOCC2)cn3COCC[Si](C)(C)C)cc1.c1ccc(SOOn2cc(-c3cn[nH]c3)c3cc(-c4ccc5c(c4)CCO5)cnc32)cc1.c1ccc(SOOn2cc(-c3cn[nH]c3)c3cc(N4CCOCC4)cnc32)cc1.c1ccc(SOOn2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3cc(-c4ccc5c(c4)CCO5)cnc32)cc1.c1ccc(SOOn2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3cc(N4CCOCC4)cnc32)cc1.

What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 BOSRZTVEADCUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O3S.C39H33N5O3S.C25H36N4O2Si.C24H18N4O3S.C20H19N5O3S/c1-5-13-35(14-6-1)43(36-15-7-2-8-16-36,37-17-9-3-10-18-37)47-29-34(28-45-47)40-30-46(49-50-51-38-19-11-4-12-20-38)42-39(40)26-33(27-44-42)31-21-22-41-32(25-31)23-24-48-41;1-5-13-31(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;1-2-4-20(5-3-1)32-31-30-28-15-22(19-13-26-27-14-19)21-11-18(12-25-24(21)28)16-6-7-23-17(10-16)8-9-29-23;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/h1-22,25-30H,23-24H2;1-20,25-29H,21-24H2;6-9,16-18H,10-15,19H2,1-5H3;1-7,10-15H,8-9H2,(H,26,27);1-5,10-14H,6-9H2,(H,22,23).

What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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?

5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 2641.26 g/mol, XLogP of 30.40, 40 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;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 157414944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).