2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H24FN3O2Si — CID 140850929

IUPAC2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cccc(F)c1-c1cc2cnn(COCC[Si](C)(C)C)c2cn1
InChIInChI=1S/C19H24FN3O2Si/c1-24-18-7-5-6-15(20)19(18)16-10-14-11-22-23(17(14)12-21-16)13-25-8-9-26(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3
InChIKeyJKPXFUWGZKWMSC-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.56
Rot. Bonds7

About 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140850929) has the molecular formula C19H24FN3O2Si and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140850929
Molecular FormulaC19H24FN3O2Si
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cccc(F)c1-c1cc2cnn(COCC[Si](C)(C)C)c2cn1
InChIInChI=1S/C19H24FN3O2Si/c1-24-18-7-5-6-15(20)19(18)16-10-14-11-22-23(17(14)12-21-16)13-25-8-9-26(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3
InChIKeyJKPXFUWGZKWMSC-UHFFFAOYSA-N
XLogP4.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.56
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-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 140850929) is 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(F)c1-c1cc2cnn(COCC[Si](C)(C)C)c2cn1.
What is the InChIKey of 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JKPXFUWGZKWMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2Si/c1-24-18-7-5-6-15(20)19(18)16-10-14-11-22-23(17(14)12-21-16)13-25-8-9-26(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3.
What are the key properties of 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 373.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140850929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).