tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane

C15H20F3IN2OSi — CID 58014015

IUPACtert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(I)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C15H20F3IN2OSi/c1-14(2,3)23(4,5)22-9-10-6-7-13(19)21-11(10)8-12(20-21)15(16,17)18/h6-8H,9H2,1-5H3
InChIKeyCRPHUWNEJSSSIB-UHFFFAOYSA-N
MW456.32 g/mol
LogP5.48
Rot. Bonds3

About tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane (PubChem CID 58014015) has the molecular formula C15H20F3IN2OSi and a molecular weight of 456.32 g/mol. Its IUPAC name is tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane
PubChem CID58014015
Molecular FormulaC15H20F3IN2OSi
Molecular Weight456.32 g/mol
Exact Mass456.03
IUPAC Nametert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(I)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C15H20F3IN2OSi/c1-14(2,3)23(4,5)22-9-10-6-7-13(19)21-11(10)8-12(20-21)15(16,17)18/h6-8H,9H2,1-5H3
InChIKeyCRPHUWNEJSSSIB-UHFFFAOYSA-N
XLogP5.48
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane (CID 58014015) is tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(I)n2nc(C(F)(F)F)cc12.
What is the InChIKey of tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
The InChIKey is CRPHUWNEJSSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3IN2OSi/c1-14(2,3)23(4,5)22-9-10-6-7-13(19)21-11(10)8-12(20-21)15(16,17)18/h6-8H,9H2,1-5H3.
What are the key properties of tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane has a molecular weight of 456.32 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 58014015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).