2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C21H23ClN6OSi — CID 86676701

IUPAC2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(Cl)n2)c2cc(-c3cccnc3)ncc21
InChIInChI=1S/C21H23ClN6OSi/c1-30(2,3)10-9-29-14-28-19-13-25-18(15-5-4-7-23-12-15)11-16(19)20(27-28)17-6-8-24-21(22)26-17/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyZYUABZPPQYPIJU-UHFFFAOYSA-N
MW439.00 g/mol
LogP4.92
Rot. Bonds7

About 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86676701) has the molecular formula C21H23ClN6OSi and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID86676701
Molecular FormulaC21H23ClN6OSi
Molecular Weight439.00 g/mol
Exact Mass438.14
IUPAC Name2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(Cl)n2)c2cc(-c3cccnc3)ncc21
InChIInChI=1S/C21H23ClN6OSi/c1-30(2,3)10-9-29-14-28-19-13-25-18(15-5-4-7-23-12-15)11-16(19)20(27-28)17-6-8-24-21(22)26-17/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyZYUABZPPQYPIJU-UHFFFAOYSA-N
XLogP4.92
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 86676701) is 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(Cl)n2)c2cc(-c3cccnc3)ncc21.
What is the InChIKey of 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZYUABZPPQYPIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6OSi/c1-30(2,3)10-9-29-14-28-19-13-25-18(15-5-4-7-23-12-15)11-16(19)20(27-28)17-6-8-24-21(22)26-17/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 439.00 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86676701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).