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

C17H23N5O2Si — CID 58395975

IUPAC2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc2c1c(-c1ccncc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C17H23N5O2Si/c1-23-17-14-15(13-5-7-18-8-6-13)21-22(16(14)19-11-20-17)12-24-9-10-25(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyNGCZXLTWMYAQST-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.21
Rot. Bonds7

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

2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58395975) has the molecular formula C17H23N5O2Si and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58395975
Molecular FormulaC17H23N5O2Si
Molecular Weight357.49 g/mol
Exact Mass357.16
IUPAC Name2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc2c1c(-c1ccncc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C17H23N5O2Si/c1-23-17-14-15(13-5-7-18-8-6-13)21-22(16(14)19-11-20-17)12-24-9-10-25(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyNGCZXLTWMYAQST-UHFFFAOYSA-N
XLogP3.21
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.21
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-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (CID 58395975) is 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is COc1ncnc2c1c(-c1ccncc1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is NGCZXLTWMYAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2Si/c1-23-17-14-15(13-5-7-18-8-6-13)21-22(16(14)19-11-20-17)12-24-9-10-25(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 357.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58395975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).