sodium;[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;hydroxide

C47H55N6NaO5SSi — CID 159497738

About sodium;[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;hydroxide

sodium;[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;hydroxide (PubChem CID 159497738) has the molecular formula C47H55N6NaO5SSi and a molecular weight of 867.14 g/mol. Its IUPAC name is sodium;[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;hydroxide.

Molecular Properties

• Compound Name: sodium;[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;hydroxide
• PubChem CID: 159497738
• Molecular Formula: C47H55N6NaO5SSi
• Molecular Weight: 867.14 g/mol
• Exact Mass: 866.36
• IUPAC Name: sodium;[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;hydroxide
• SMILES: C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3OOSc2ccccc2)c1.[Na+].[OH-].c1cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c[nH]1
• InChI: InChI=1S/C30H35N3O3SSi.C15H11N3O.2CH4.Na.H2O/c1-21(2)38(22(3)4,23(5)6)32-14-12-24(18-32)26-16-28-29(25-13-15-34-20-25)19-33(30(28)31-17-26)35-36-37-27-10-8-7-9-11-27;1-3-16-6-10(1)12-5-13-14(11-2-4-19-9-11)8-18-15(13)17-7-12;;;;/h7-23H,1-6H3;1-9,16H,(H,17,18);2*1H4;;1H2/q;;;;+1;/p-1
• InChIKey: LYZONNFHQHQLRP-UHFFFAOYSA-M
• XLogP: 10.77
• TPSA: 141.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.14
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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 sodium;[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;hydroxide?

The IUPAC name of sodium;[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;hydroxide (CID 159497738) is sodium;[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;hydroxide.

What is the SMILES notation for sodium;[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;hydroxide?

The canonical SMILES for sodium;[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;hydroxide is C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3OOSc2ccccc2)c1.[Na+].[OH-].c1cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c[nH]1.

What is the InChIKey of sodium;[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;hydroxide?

The InChIKey is LYZONNFHQHQLRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H35N3O3SSi.C15H11N3O.2CH4.Na.H2O/c1-21(2)38(22(3)4,23(5)6)32-14-12-24(18-32)26-16-28-29(25-13-15-34-20-25)19-33(30(28)31-17-26)35-36-37-27-10-8-7-9-11-27;1-3-16-6-10(1)12-5-13-14(11-2-4-19-9-11)8-18-15(13)17-7-12;;;;/h7-23H,1-6H3;1-9,16H,(H,17,18);2*1H4;;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;[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;hydroxide?

sodium;[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;hydroxide has a molecular weight of 867.14 g/mol, XLogP of 10.77, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[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;hydroxide is sourced from PubChem (CID 159497738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).