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

C13H19ClIN3O2Si — CID 151001898

IUPAC2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc(Cl)nc2c1c(I)nn2COCC[Si](C)(C)C
InChIInChI=1S/C13H19ClIN3O2Si/c1-19-9-7-10(14)16-13-11(9)12(15)17-18(13)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyLUGWCWAMMMXCFD-UHFFFAOYSA-N
MW439.76 g/mol
LogP4.01
Rot. Bonds6

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

2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 151001898) has the molecular formula C13H19ClIN3O2Si and a molecular weight of 439.76 g/mol. Its IUPAC name is 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID151001898
Molecular FormulaC13H19ClIN3O2Si
Molecular Weight439.76 g/mol
Exact Mass439.00
IUPAC Name2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc(Cl)nc2c1c(I)nn2COCC[Si](C)(C)C
InChIInChI=1S/C13H19ClIN3O2Si/c1-19-9-7-10(14)16-13-11(9)12(15)17-18(13)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyLUGWCWAMMMXCFD-UHFFFAOYSA-N
XLogP4.01
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 151001898) is 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is COc1cc(Cl)nc2c1c(I)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LUGWCWAMMMXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClIN3O2Si/c1-19-9-7-10(14)16-13-11(9)12(15)17-18(13)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 439.76 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151001898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).