[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine

C13H22N4OSi — CID 171465915

IUPAC[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
SMILESC[Si](C)(C)CCOCn1ncc2cc(CN)cnc21
InChIInChI=1S/C13H22N4OSi/c1-19(2,3)5-4-18-10-17-13-12(9-16-17)6-11(7-14)8-15-13/h6,8-9H,4-5,7,10,14H2,1-3H3
InChIKeyNKXXCOJGFVNZGJ-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.20
Rot. Bonds6

About [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine

[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine (PubChem CID 171465915) has the molecular formula C13H22N4OSi and a molecular weight of 278.43 g/mol. Its IUPAC name is [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
PubChem CID171465915
Molecular FormulaC13H22N4OSi
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
SMILESC[Si](C)(C)CCOCn1ncc2cc(CN)cnc21
InChIInChI=1S/C13H22N4OSi/c1-19(2,3)5-4-18-10-17-13-12(9-16-17)6-11(7-14)8-15-13/h6,8-9H,4-5,7,10,14H2,1-3H3
InChIKeyNKXXCOJGFVNZGJ-UHFFFAOYSA-N
XLogP2.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.20
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 [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The IUPAC name of [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine (CID 171465915) is [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine.
What is the SMILES notation for [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The canonical SMILES for [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine is C[Si](C)(C)CCOCn1ncc2cc(CN)cnc21.
What is the InChIKey of [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The InChIKey is NKXXCOJGFVNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OSi/c1-19(2,3)5-4-18-10-17-13-12(9-16-17)6-11(7-14)8-15-13/h6,8-9H,4-5,7,10,14H2,1-3H3.
What are the key properties of [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine has a molecular weight of 278.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine is sourced from PubChem (CID 171465915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).