2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C18H20F4N2OSSi — CID 142472435

About 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142472435) has the molecular formula C18H20F4N2OSSi and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 142472435
• Molecular Formula: C18H20F4N2OSSi
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.10
• IUPAC Name: 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1cc(-c2ccsc2C(F)(F)F)c2cc(F)cnc21
• InChI: InChI=1S/C18H20F4N2OSSi/c1-27(2,3)7-5-25-11-24-10-15(14-8-12(19)9-23-17(14)24)13-4-6-26-16(13)18(20,21)22/h4,6,8-10H,5,7,11H2,1-3H3
• InChIKey: ZPUKLCQXNDPQKH-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 27.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 142472435) is 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccsc2C(F)(F)F)c2cc(F)cnc21.

What is the InChIKey of 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is ZPUKLCQXNDPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N2OSSi/c1-27(2,3)7-5-25-11-24-10-15(14-8-12(19)9-23-17(14)24)13-4-6-26-16(13)18(20,21)22/h4,6,8-10H,5,7,11H2,1-3H3.

What are the key properties of 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 416.52 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142472435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).