1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine

C21H19FN4O2S — CID 129235171

IUPAC1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine
SMILESCCn1ncc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21
InChIInChI=1S/C21H19FN4O2S/c1-3-26-21-19(13-24-26)18(12-23-25-21)15-7-10-20(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3
InChIKeyWGPYMTABSLGPEU-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.11
Rot. Bonds5

About 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine

1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine (PubChem CID 129235171) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine
PubChem CID129235171
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine
SMILESCCn1ncc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21
InChIInChI=1S/C21H19FN4O2S/c1-3-26-21-19(13-24-26)18(12-23-25-21)15-7-10-20(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3
InChIKeyWGPYMTABSLGPEU-UHFFFAOYSA-N
XLogP4.11
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine?
The IUPAC name of 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine (CID 129235171) is 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine.
What is the SMILES notation for 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine?
The canonical SMILES for 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine is CCn1ncc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21.
What is the InChIKey of 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine?
The InChIKey is WGPYMTABSLGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-3-26-21-19(13-24-26)18(12-23-25-21)15-7-10-20(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine?
1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine has a molecular weight of 410.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]pyrazolo[5,4-c]pyridazine is sourced from PubChem (CID 129235171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).