3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

C20H16N4O3S — CID 90670280

IUPAC3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)cc1
InChIInChI=1S/C20H16N4O3S/c1-28(26,27)16-7-5-13(6-8-16)18-12-22-19-10-9-17(23-24(18)19)14-3-2-4-15(11-14)20(21)25/h2-12H,1H3,(H2,21,25)
InChIKeyWUXTVJVWSNBFOI-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.57
Rot. Bonds4

About 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 90670280) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound Name3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID90670280
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)cc1
InChIInChI=1S/C20H16N4O3S/c1-28(26,27)16-7-5-13(6-8-16)18-12-22-19-10-9-17(23-24(18)19)14-3-2-4-15(11-14)20(21)25/h2-12H,1H3,(H2,21,25)
InChIKeyWUXTVJVWSNBFOI-UHFFFAOYSA-N
XLogP2.57
TPSA107.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 90670280) is 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)cc1.
What is the InChIKey of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is WUXTVJVWSNBFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-28(26,27)16-7-5-13(6-8-16)18-12-22-19-10-9-17(23-24(18)19)14-3-2-4-15(11-14)20(21)25/h2-12H,1H3,(H2,21,25).
What are the key properties of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 90670280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).