2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

C15H21ClN6OSi — CID 140850912

IUPAC2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2nn(COCC[Si](C)(C)C)c3cnc(Cl)nc23)cn1
InChIInChI=1S/C15H21ClN6OSi/c1-21-9-11(7-18-21)13-14-12(8-17-15(16)19-14)22(20-13)10-23-5-6-24(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyRABYPHUPFIPZKZ-UHFFFAOYSA-N
MW364.91 g/mol
LogP3.19
Rot. Bonds6

About 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140850912) has the molecular formula C15H21ClN6OSi and a molecular weight of 364.91 g/mol. Its IUPAC name is 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140850912
Molecular FormulaC15H21ClN6OSi
Molecular Weight364.91 g/mol
Exact Mass364.12
IUPAC Name2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2nn(COCC[Si](C)(C)C)c3cnc(Cl)nc23)cn1
InChIInChI=1S/C15H21ClN6OSi/c1-21-9-11(7-18-21)13-14-12(8-17-15(16)19-14)22(20-13)10-23-5-6-24(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyRABYPHUPFIPZKZ-UHFFFAOYSA-N
XLogP3.19
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.91
LogP ≤ 53.19
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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Related Compounds

2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol
CID 140850910
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]benzaldehyde
CID 140850927
2-[[5-(4-ethenyl-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850928
2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171627565
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398408
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701
3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
CID 90709871
2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 156674730
2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 67002903

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 140850912) is 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2nn(COCC[Si](C)(C)C)c3cnc(Cl)nc23)cn1.
What is the InChIKey of 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RABYPHUPFIPZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6OSi/c1-21-9-11(7-18-21)13-14-12(8-17-15(16)19-14)22(20-13)10-23-5-6-24(2,3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 364.91 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140850912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).