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

C26H28BrFN4O2Si — CID 163289148

IUPAC3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESC[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)c2nn(-c3c(F)cccc3C3CC3)c(=O)cc21
InChIInChI=1S/C26H28BrFN4O2Si/c1-35(2,3)14-13-34-16-31-22-15-23(33)32(26-20(17-7-8-17)5-4-6-21(26)28)30-25(22)24(29-31)18-9-11-19(27)12-10-18/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3
InChIKeyULZWWITXHMCNHQ-UHFFFAOYSA-N
MW555.52 g/mol
LogP6.34
Rot. Bonds8

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

3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163289148) has the molecular formula C26H28BrFN4O2Si and a molecular weight of 555.52 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163289148
Molecular FormulaC26H28BrFN4O2Si
Molecular Weight555.52 g/mol
Exact Mass554.11
IUPAC Name3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESC[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)c2nn(-c3c(F)cccc3C3CC3)c(=O)cc21
InChIInChI=1S/C26H28BrFN4O2Si/c1-35(2,3)14-13-34-16-31-22-15-23(33)32(26-20(17-7-8-17)5-4-6-21(26)28)30-25(22)24(29-31)18-9-11-19(27)12-10-18/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3
InChIKeyULZWWITXHMCNHQ-UHFFFAOYSA-N
XLogP6.34
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.52
LogP ≤ 56.34
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-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-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-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289170
5-(2-Cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 163289176
5-Amino-6-(4-bromobenzenecarboximidoyl)-2-(2-cyclopropyl-6-fluorophenyl)pyridazin-3-one
CID 167062356
5-[2-(Bromomethyl)-6-fluorophenyl]-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782010

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one (CID 163289148) is 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one is C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)c2nn(-c3c(F)cccc3C3CC3)c(=O)cc21.
What is the InChIKey of 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is ULZWWITXHMCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrFN4O2Si/c1-35(2,3)14-13-34-16-31-22-15-23(33)32(26-20(17-7-8-17)5-4-6-21(26)28)30-25(22)24(29-31)18-9-11-19(27)12-10-18/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one?
3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 555.52 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2-cyclopropyl-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163289148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).