2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine

C20H16FN3O3S — CID 22562341

IUPAC2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCOc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C20H16FN3O3S/c1-27-18-12-11-17-19(13-5-9-16(10-6-13)28(2,25)26)20(23-24(17)22-18)14-3-7-15(21)8-4-14/h3-12H,1-2H3
InChIKeyTZIFVBRWFVXOKP-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine

2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (PubChem CID 22562341) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
PubChem CID22562341
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCOc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C20H16FN3O3S/c1-27-18-12-11-17-19(13-5-9-16(10-6-13)28(2,25)26)20(23-24(17)22-18)14-3-7-15(21)8-4-14/h3-12H,1-2H3
InChIKeyTZIFVBRWFVXOKP-UHFFFAOYSA-N
XLogP3.61
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (CID 22562341) is 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is COc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The InChIKey is TZIFVBRWFVXOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-18-12-11-17-19(13-5-9-16(10-6-13)28(2,25)26)20(23-24(17)22-18)14-3-7-15(21)8-4-14/h3-12H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine has a molecular weight of 397.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 22562341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).