4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol

C16H19ClN4O2Si — CID 140850910

IUPAC4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol
SMILESC[Si](C)(C)CCOn1nc(-c2ccc(O)cc2)c2nc(Cl)ncc21
InChIInChI=1S/C16H19ClN4O2Si/c1-24(2,3)9-8-23-21-13-10-18-16(17)19-15(13)14(20-21)11-4-6-12(22)7-5-11/h4-7,10,22H,8-9H2,1-3H3
InChIKeyGUTKQBPIEXDVET-UHFFFAOYSA-N
MW362.89 g/mol
LogP3.62
Rot. Bonds5

About 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol

4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol (PubChem CID 140850910) has the molecular formula C16H19ClN4O2Si and a molecular weight of 362.89 g/mol. Its IUPAC name is 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol
PubChem CID140850910
Molecular FormulaC16H19ClN4O2Si
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC Name4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol
SMILESC[Si](C)(C)CCOn1nc(-c2ccc(O)cc2)c2nc(Cl)ncc21
InChIInChI=1S/C16H19ClN4O2Si/c1-24(2,3)9-8-23-21-13-10-18-16(17)19-15(13)14(20-21)11-4-6-12(22)7-5-11/h4-7,10,22H,8-9H2,1-3H3
InChIKeyGUTKQBPIEXDVET-UHFFFAOYSA-N
XLogP3.62
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
4-(2-chloropyrimidin-5-yl)phenol
CID 102475277
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 156674730
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
CID 172562690
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 58285270

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol?
The IUPAC name of 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol (CID 140850910) is 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol.
What is the SMILES notation for 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol?
The canonical SMILES for 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol is C[Si](C)(C)CCOn1nc(-c2ccc(O)cc2)c2nc(Cl)ncc21.
What is the InChIKey of 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol?
The InChIKey is GUTKQBPIEXDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2Si/c1-24(2,3)9-8-23-21-13-10-18-16(17)19-15(13)14(20-21)11-4-6-12(22)7-5-11/h4-7,10,22H,8-9H2,1-3H3.
What are the key properties of 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol?
4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol has a molecular weight of 362.89 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-1-(2-trimethylsilylethoxy)pyrazolo[4,3-d]pyrimidin-3-yl]phenol is sourced from PubChem (CID 140850910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).