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

C20H16N4O2S — CID 118720966

IUPAC4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCS(=O)c1cccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1
InChIInChI=1S/C20H16N4O2S/c1-27(26)16-4-2-3-15(11-16)17-9-10-19-22-12-18(24(19)23-17)13-5-7-14(8-6-13)20(21)25/h2-12H,1H3,(H2,21,25)
InChIKeyVDBLETSPPGYFNZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.90
Rot. Bonds4

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

4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 118720966) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID118720966
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCS(=O)c1cccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1
InChIInChI=1S/C20H16N4O2S/c1-27(26)16-4-2-3-15(11-16)17-9-10-19-22-12-18(24(19)23-17)13-5-7-14(8-6-13)20(21)25/h2-12H,1H3,(H2,21,25)
InChIKeyVDBLETSPPGYFNZ-UHFFFAOYSA-N
XLogP2.90
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 118720966) is 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is CS(=O)c1cccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1.
What is the InChIKey of 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is VDBLETSPPGYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-27(26)16-4-2-3-15(11-16)17-9-10-19-22-12-18(24(19)23-17)13-5-7-14(8-6-13)20(21)25/h2-12H,1H3,(H2,21,25).
What are the key properties of 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 118720966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).