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

C17H25F3N2O2Si — CID 58014019

IUPACtert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane
SMILESCOCc1ccc(CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H25F3N2O2Si/c1-16(2,3)25(5,6)24-10-12-7-8-13(11-23-4)22-14(12)9-15(21-22)17(18,19)20/h7-9H,10-11H2,1-6H3
InChIKeyHSXHHQSZLLGFEG-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.02
Rot. Bonds5

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

tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane (PubChem CID 58014019) has the molecular formula C17H25F3N2O2Si and a molecular weight of 374.48 g/mol. Its IUPAC name is tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane
PubChem CID58014019
Molecular FormulaC17H25F3N2O2Si
Molecular Weight374.48 g/mol
Exact Mass374.16
IUPAC Nametert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane
SMILESCOCc1ccc(CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H25F3N2O2Si/c1-16(2,3)25(5,6)24-10-12-7-8-13(11-23-4)22-14(12)9-15(21-22)17(18,19)20/h7-9H,10-11H2,1-6H3
InChIKeyHSXHHQSZLLGFEG-UHFFFAOYSA-N
XLogP5.02
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3-Dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
CID 58013968
4-(t-Butyldimethylsilyloxymethyl)-7-hydroxymethyl-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 58013985
[4-(1,3-Dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
CID 58013991
4-(t-Butyldimethylsilyloxymethyl)-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 58014000
4-(t-Butyldimethylsilyloxymethyl)-7-iodo-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 58014015
4-(1-Hydroxypropyl)-7-methoxymethyl-2-trifluoromethyl-pyrazolo[1,5-a]pyridine
CID 59389313
4-Hydroxymethyl-7-methoxymethyl-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 59389336
4-Ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 59389362
[4-Ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
CID 59389369
7-Acetoxymethyl-4-[1,3]dioxan-2-yl-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 68548692
4-[1,3]Dioxan-2-yl-7-hydroxymethyl-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 68554188
3-(2,6-dimethyl-4-pyridinyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 142592344

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane (CID 58014019) is tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane is COCc1ccc(CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)nn12.
What is the InChIKey of tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
The InChIKey is HSXHHQSZLLGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2Si/c1-16(2,3)25(5,6)24-10-12-7-8-13(11-23-4)22-14(12)9-15(21-22)17(18,19)20/h7-9H,10-11H2,1-6H3.
What are the key properties of tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane has a molecular weight of 374.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 58014019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).