6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C18H14N4O2S — CID 90670246

IUPAC6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C18H14N4O2S/c1-25(23,24)15-4-2-3-14(11-15)16-5-6-18-20-12-17(22(18)21-16)13-7-9-19-10-8-13/h2-12H,1H3
InChIKeyNNRKKHWCMVOSSS-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.86
Rot. Bonds3

About 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 90670246) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID90670246
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C18H14N4O2S/c1-25(23,24)15-4-2-3-14(11-15)16-5-6-18-20-12-17(22(18)21-16)13-7-9-19-10-8-13/h2-12H,1H3
InChIKeyNNRKKHWCMVOSSS-UHFFFAOYSA-N
XLogP2.86
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 90670246) is 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is NNRKKHWCMVOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-25(23,24)15-4-2-3-14(11-15)16-5-6-18-20-12-17(22(18)21-16)13-7-9-19-10-8-13/h2-12H,1H3.
What are the key properties of 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 350.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 90670246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).