5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one

C17H19BrClFN4O2Si — CID 171782048

IUPAC5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESC[Si](C)(C)CCOCn1nc(Cl)c2nn(-c3c(F)cccc3Br)c(=O)cc21
InChIInChI=1S/C17H19BrClFN4O2Si/c1-27(2,3)8-7-26-10-23-13-9-14(25)24(21-15(13)17(19)22-23)16-11(18)5-4-6-12(16)20/h4-6,9H,7-8,10H2,1-3H3
InChIKeyNWSRWKPCALARKN-UHFFFAOYSA-N
MW473.81 g/mol
LogP4.45
Rot. Bonds6

About 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one

5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 171782048) has the molecular formula C17H19BrClFN4O2Si and a molecular weight of 473.81 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
PubChem CID171782048
Molecular FormulaC17H19BrClFN4O2Si
Molecular Weight473.81 g/mol
Exact Mass472.01
IUPAC Name5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESC[Si](C)(C)CCOCn1nc(Cl)c2nn(-c3c(F)cccc3Br)c(=O)cc21
InChIInChI=1S/C17H19BrClFN4O2Si/c1-27(2,3)8-7-26-10-23-13-9-14(25)24(21-15(13)17(19)22-23)16-11(18)5-4-6-12(16)20/h4-6,9H,7-8,10H2,1-3H3
InChIKeyNWSRWKPCALARKN-UHFFFAOYSA-N
XLogP4.45
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.81
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-Chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 170554948
5-[2-(Bromomethyl)-6-fluorophenyl]-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782010
3-Chloro-5-(2-ethenyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782049
5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 171782051

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one (CID 171782048) is 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one is C[Si](C)(C)CCOCn1nc(Cl)c2nn(-c3c(F)cccc3Br)c(=O)cc21.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is NWSRWKPCALARKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClFN4O2Si/c1-27(2,3)8-7-26-10-23-13-9-14(25)24(21-15(13)17(19)22-23)16-11(18)5-4-6-12(16)20/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 473.81 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 171782048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).