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

C17H24BrN5OSi — CID 175794450

IUPAC2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2nn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1
InChIInChI=1S/C17H24BrN5OSi/c1-5-22-11-13(9-20-22)16-15-8-14(18)10-19-17(15)23(21-16)12-24-6-7-25(2,3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyHSUPDMVNNMFMGJ-UHFFFAOYSA-N
MW422.40 g/mol
LogP4.39
Rot. Bonds7

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

2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175794450) has the molecular formula C17H24BrN5OSi and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175794450
Molecular FormulaC17H24BrN5OSi
Molecular Weight422.40 g/mol
Exact Mass421.09
IUPAC Name2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2nn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1
InChIInChI=1S/C17H24BrN5OSi/c1-5-22-11-13(9-20-22)16-15-8-14(18)10-19-17(15)23(21-16)12-24-6-7-25(2,3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyHSUPDMVNNMFMGJ-UHFFFAOYSA-N
XLogP4.39
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 175794450) is 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CCn1cc(-c2nn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cn1.
What is the InChIKey of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HSUPDMVNNMFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5OSi/c1-5-22-11-13(9-20-22)16-15-8-14(18)10-19-17(15)23(21-16)12-24-6-7-25(2,3)4/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 422.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175794450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).