6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine

C23H21FN4O2S — CID 58335786

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C23H21FN4O2S/c1-31(29,30)19-9-7-16(8-10-19)21-15-25-22-11-12-23(26-28(21)22)27-13-3-6-20(27)17-4-2-5-18(24)14-17/h2,4-5,7-12,14-15,20H,3,6,13H2,1H3
InChIKeyYZKBBSWIQMPZOY-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.28
Rot. Bonds4

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 58335786) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
PubChem CID58335786
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C23H21FN4O2S/c1-31(29,30)19-9-7-16(8-10-19)21-15-25-22-11-12-23(26-28(21)22)27-13-3-6-20(27)17-4-2-5-18(24)14-17/h2,4-5,7-12,14-15,20H,3,6,13H2,1H3
InChIKeyYZKBBSWIQMPZOY-UHFFFAOYSA-N
XLogP4.28
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]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 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (CID 58335786) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is CS(=O)(=O)c1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is YZKBBSWIQMPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-31(29,30)19-9-7-16(8-10-19)21-15-25-22-11-12-23(26-28(21)22)27-13-3-6-20(27)17-4-2-5-18(24)14-17/h2,4-5,7-12,14-15,20H,3,6,13H2,1H3.
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 436.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58335786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).