2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C12H17ClIN3OSi — CID 163251887

IUPAC2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(I)c2ccc(Cl)nc21
InChIInChI=1S/C12H17ClIN3OSi/c1-19(2,3)7-6-18-8-17-12-9(11(14)16-17)4-5-10(13)15-12/h4-5H,6-8H2,1-3H3
InChIKeyOTKAKNLREZUPEJ-UHFFFAOYSA-N
MW409.73 g/mol
LogP4.00
Rot. Bonds5

About 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 163251887) has the molecular formula C12H17ClIN3OSi and a molecular weight of 409.73 g/mol. Its IUPAC name is 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID163251887
Molecular FormulaC12H17ClIN3OSi
Molecular Weight409.73 g/mol
Exact Mass408.99
IUPAC Name2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(I)c2ccc(Cl)nc21
InChIInChI=1S/C12H17ClIN3OSi/c1-19(2,3)7-6-18-8-17-12-9(11(14)16-17)4-5-10(13)15-12/h4-5H,6-8H2,1-3H3
InChIKeyOTKAKNLREZUPEJ-UHFFFAOYSA-N
XLogP4.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898
2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251763
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141449114
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 123634189
2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 169114152
6-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;1-[6-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 159870380
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366
2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250691
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 163251887) is 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(I)c2ccc(Cl)nc21.
What is the InChIKey of 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is OTKAKNLREZUPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN3OSi/c1-19(2,3)7-6-18-8-17-12-9(11(14)16-17)4-5-10(13)15-12/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 409.73 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163251887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).