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

C18H22ClFN4O2Si — CID 170554948

IUPAC3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(Cl)nn(COCC[Si](C)(C)C)c2cc1=O
InChIInChI=1S/C18H22ClFN4O2Si/c1-12-6-5-7-13(20)17(12)24-15(25)10-14-16(21-24)18(19)22-23(14)11-26-8-9-27(2,3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyIULFQHKALCZHQF-UHFFFAOYSA-N
MW408.94 g/mol
LogP4.00
Rot. Bonds6

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

3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 170554948) has the molecular formula C18H22ClFN4O2Si and a molecular weight of 408.94 g/mol. Its IUPAC name is 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
PubChem CID170554948
Molecular FormulaC18H22ClFN4O2Si
Molecular Weight408.94 g/mol
Exact Mass408.12
IUPAC Name3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(Cl)nn(COCC[Si](C)(C)C)c2cc1=O
InChIInChI=1S/C18H22ClFN4O2Si/c1-12-6-5-7-13(20)17(12)24-15(25)10-14-16(21-24)18(19)22-23(14)11-26-8-9-27(2,3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyIULFQHKALCZHQF-UHFFFAOYSA-N
XLogP4.00
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.94
LogP ≤ 54.00
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'}

Analyze 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360966
3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163361001
5-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-fluorophenyl]-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171781993
5-[2-(Bromomethyl)-6-fluorophenyl]-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782010
2-[3-Chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-5-yl]-3-fluorobenzaldehyde
CID 171782028
5-(2-Bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782048
3-Chloro-5-(2-ethenyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782049
3-Chloro-5-[2-fluoro-6-(hydroxymethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one (CID 170554948) is 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(Cl)nn(COCC[Si](C)(C)C)c2cc1=O.
What is the InChIKey of 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is IULFQHKALCZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O2Si/c1-12-6-5-7-13(20)17(12)24-15(25)10-14-16(21-24)18(19)22-23(14)11-26-8-9-27(2,3)4/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 408.94 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-fluoro-6-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 170554948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).