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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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).