2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol

C18H32N4O2Si — CID 165175430

IUPAC2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol
SMILESCC(C)(C)NCC(O)c1nccc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C18H32N4O2Si/c1-18(2,3)20-12-16(23)17-14-11-21-22(15(14)7-8-19-17)13-24-9-10-25(4,5)6/h7-8,11,16,20,23H,9-10,12-13H2,1-6H3
InChIKeyHVBSDMSUHXRUNM-UHFFFAOYSA-N
MW364.57 g/mol
LogP3.17
Rot. Bonds8

About 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol

2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol (PubChem CID 165175430) has the molecular formula C18H32N4O2Si and a molecular weight of 364.57 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol
PubChem CID165175430
Molecular FormulaC18H32N4O2Si
Molecular Weight364.57 g/mol
Exact Mass364.23
IUPAC Name2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol
SMILESCC(C)(C)NCC(O)c1nccc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C18H32N4O2Si/c1-18(2,3)20-12-16(23)17-14-11-21-22(15(14)7-8-19-17)13-24-9-10-25(4,5)6/h7-8,11,16,20,23H,9-10,12-13H2,1-6H3
InChIKeyHVBSDMSUHXRUNM-UHFFFAOYSA-N
XLogP3.17
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol?
The IUPAC name of 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol (CID 165175430) is 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol is CC(C)(C)NCC(O)c1nccc2c1cnn2COCC[Si](C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol?
The InChIKey is HVBSDMSUHXRUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2Si/c1-18(2,3)20-12-16(23)17-14-11-21-22(15(14)7-8-19-17)13-24-9-10-25(4,5)6/h7-8,11,16,20,23H,9-10,12-13H2,1-6H3.
What are the key properties of 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol?
2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol has a molecular weight of 364.57 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]ethanol is sourced from PubChem (CID 165175430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).