2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C17H23BrN4OSi — CID 59128651

IUPAC2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1
InChIInChI=1S/C17H23BrN4OSi/c1-21-10-13(8-20-21)16-11-22(12-23-5-6-24(2,3)4)17-15(16)7-14(18)9-19-17/h7-11H,5-6,12H2,1-4H3
InChIKeyFPAHBPYIRCKXGE-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.51
Rot. Bonds6

About 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 59128651) has the molecular formula C17H23BrN4OSi and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID59128651
Molecular FormulaC17H23BrN4OSi
Molecular Weight407.39 g/mol
Exact Mass406.08
IUPAC Name2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1
InChIInChI=1S/C17H23BrN4OSi/c1-21-10-13(8-20-21)16-11-22(12-23-5-6-24(2,3)4)17-15(16)7-14(18)9-19-17/h7-11H,5-6,12H2,1-4H3
InChIKeyFPAHBPYIRCKXGE-UHFFFAOYSA-N
XLogP4.51
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 59128651) is 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1.
What is the InChIKey of 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FPAHBPYIRCKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4OSi/c1-21-10-13(8-20-21)16-11-22(12-23-5-6-24(2,3)4)17-15(16)7-14(18)9-19-17/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 407.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 59128651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).