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

C16H20FN5OSi — CID 58177356

IUPAC2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3F)cnc21
InChIInChI=1S/C16H20FN5OSi/c1-24(2,3)9-8-23-11-22-7-4-12-16(22)20-10-13(21-12)14-15(17)19-6-5-18-14/h4-7,10H,8-9,11H2,1-3H3
InChIKeyMFQSIPARFHQFGN-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.34
Rot. Bonds6

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

2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58177356) has the molecular formula C16H20FN5OSi and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID58177356
Molecular FormulaC16H20FN5OSi
Molecular Weight345.45 g/mol
Exact Mass345.14
IUPAC Name2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3F)cnc21
InChIInChI=1S/C16H20FN5OSi/c1-24(2,3)9-8-23-11-22-7-4-12-16(22)20-10-13(21-12)14-15(17)19-6-5-18-14/h4-7,10H,8-9,11H2,1-3H3
InChIKeyMFQSIPARFHQFGN-UHFFFAOYSA-N
XLogP3.34
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10427424
2-[[2-(2-Fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58177238
2-[[3-(2-Fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58177289
2-[[2-(3-Fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-dimethyl-(2,2,7,7-tetramethylazepan-4-yl)silane
CID 58177408
2-[[2-(2-Fluoro-3-pyridinyl)-7-iodopyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58177445
1-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385703
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385709
racemic 1-[1-(2,2,2-trifluoro-ethyl)-piperidin-2-ylmethyl]-3-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
CID 67385800
1-(3,3,3-Trifluoro-1-piperidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385801
1-[2-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]ethyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385946
1-[1-(3,3,3-trifluoro-propionyl)-piperidin-3-yl]-3-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
CID 67385971
1-[[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]methyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67386002

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 58177356) is 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3F)cnc21.
What is the InChIKey of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MFQSIPARFHQFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OSi/c1-24(2,3)9-8-23-11-22-7-4-12-16(22)20-10-13(21-12)14-15(17)19-6-5-18-14/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 345.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58177356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).