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

C19H13ClFN3O2S — CID 90670285

IUPAC6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)cc1
InChIInChI=1S/C19H13ClFN3O2S/c1-27(25,26)14-5-2-12(3-6-14)18-11-22-19-9-8-17(23-24(18)19)13-4-7-16(21)15(20)10-13/h2-11H,1H3
InChIKeyACUYUSDHNYNQAP-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.26
Rot. Bonds3

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

6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 90670285) has the molecular formula C19H13ClFN3O2S and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
PubChem CID90670285
Molecular FormulaC19H13ClFN3O2S
Molecular Weight401.85 g/mol
Exact Mass401.04
IUPAC Name6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)cc1
InChIInChI=1S/C19H13ClFN3O2S/c1-27(25,26)14-5-2-12(3-6-14)18-11-22-19-9-8-17(23-24(18)19)13-4-7-16(21)15(20)10-13/h2-11H,1H3
InChIKeyACUYUSDHNYNQAP-UHFFFAOYSA-N
XLogP4.26
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
CID 90670269
6-(3-Cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 118720972
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
2-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10156830
2-[5-(4-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10157906
4-[6-(3-Fluoro-benzylamino)-imidazo[1,2-b]pyridazin-3-yl]-benzenesulfonamide
CID 24937716
N-(5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125256
5-chloro-2-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537544
7-Ethyl-4-[4-fluoro-3-(4-methylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine
CID 90217984
6-(3-Chlorophenyl)-3-(4-pyridyl)imidazo[1,2-b]pyridazine
CID 90670251
N-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-1-[6-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118697063
6-(Benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 1214627

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (CID 90670285) is 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)cc1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is ACUYUSDHNYNQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2S/c1-27(25,26)14-5-2-12(3-6-14)18-11-22-19-9-8-17(23-24(18)19)13-4-7-16(21)15(20)10-13/h2-11H,1H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 401.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 90670285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).