3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine

C13H19F3N4OSi — CID 170772311

IUPAC3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c(N)cncc21
InChIInChI=1S/C13H19F3N4OSi/c1-22(2,3)5-4-21-8-20-10-7-18-6-9(17)11(10)12(19-20)13(14,15)16/h6-7H,4-5,8,17H2,1-3H3
InChIKeyNJDYPZHUQMDFKK-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.34
Rot. Bonds5

About 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine

3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine (PubChem CID 170772311) has the molecular formula C13H19F3N4OSi and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine
PubChem CID170772311
Molecular FormulaC13H19F3N4OSi
Molecular Weight332.40 g/mol
Exact Mass332.13
IUPAC Name3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c(N)cncc21
InChIInChI=1S/C13H19F3N4OSi/c1-22(2,3)5-4-21-8-20-10-7-18-6-9(17)11(10)12(19-20)13(14,15)16/h6-7H,4-5,8,17H2,1-3H3
InChIKeyNJDYPZHUQMDFKK-UHFFFAOYSA-N
XLogP3.34
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
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 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine?
The IUPAC name of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine (CID 170772311) is 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine.
What is the SMILES notation for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine?
The canonical SMILES for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine is C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c(N)cncc21.
What is the InChIKey of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine?
The InChIKey is NJDYPZHUQMDFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OSi/c1-22(2,3)5-4-21-8-20-10-7-18-6-9(17)11(10)12(19-20)13(14,15)16/h6-7H,4-5,8,17H2,1-3H3.
What are the key properties of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine?
3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine has a molecular weight of 332.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 170772311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).