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

C18H21F2N3OSi — CID 166110580

IUPAC2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(-c3cc(F)ccc3F)cnc21
InChIInChI=1S/C18H21F2N3OSi/c1-25(2,3)7-6-24-12-23-18-14(11-22-23)8-13(10-21-18)16-9-15(19)4-5-17(16)20/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyOASHNOJVRHVWQA-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.69
Rot. Bonds6

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

2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 166110580) has the molecular formula C18H21F2N3OSi and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID166110580
Molecular FormulaC18H21F2N3OSi
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(-c3cc(F)ccc3F)cnc21
InChIInChI=1S/C18H21F2N3OSi/c1-25(2,3)7-6-24-12-23-18-14(11-22-23)8-13(10-21-18)16-9-15(19)4-5-17(16)20/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyOASHNOJVRHVWQA-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 166110580) is 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cc(-c3cc(F)ccc3F)cnc21.
What is the InChIKey of 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OASHNOJVRHVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OSi/c1-25(2,3)7-6-24-12-23-18-14(11-22-23)8-13(10-21-18)16-9-15(19)4-5-17(16)20/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 361.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-difluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 166110580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).