2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C17H21FN4OSi — CID 58177289

IUPAC2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2ncc(-c3cccnc3F)nc21
InChIInChI=1S/C17H21FN4OSi/c1-24(2,3)10-9-23-12-22-8-6-14-17(22)21-15(11-20-14)13-5-4-7-19-16(13)18/h4-8,11H,9-10,12H2,1-3H3
InChIKeyRFJQGXXTKUSNCB-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.94
Rot. Bonds6

About 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58177289) has the molecular formula C17H21FN4OSi and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID58177289
Molecular FormulaC17H21FN4OSi
Molecular Weight344.47 g/mol
Exact Mass344.15
IUPAC Name2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2ncc(-c3cccnc3F)nc21
InChIInChI=1S/C17H21FN4OSi/c1-24(2,3)10-9-23-12-22-8-6-14-17(22)21-15(11-20-14)13-5-4-7-19-16(13)18/h4-8,11H,9-10,12H2,1-3H3
InChIKeyRFJQGXXTKUSNCB-UHFFFAOYSA-N
XLogP3.94
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 58177289) is 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2ncc(-c3cccnc3F)nc21.
What is the InChIKey of 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RFJQGXXTKUSNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OSi/c1-24(2,3)10-9-23-12-22-8-6-14-17(22)21-15(11-20-14)13-5-4-7-19-16(13)18/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 344.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58177289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).