6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine

C22H19N3O4S2 — CID 118720972

IUPAC6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1
InChIInChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)21-14-23-22-12-11-20(24-25(21)22)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3
InChIKeyCMWOZPDEAWRWER-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.40
Rot. Bonds5

About 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine

6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 118720972) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
PubChem CID118720972
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1
InChIInChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)21-14-23-22-12-11-20(24-25(21)22)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3
InChIKeyCMWOZPDEAWRWER-UHFFFAOYSA-N
XLogP3.40
TPSA98.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine (CID 118720972) is 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1.
What is the InChIKey of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is CMWOZPDEAWRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)21-14-23-22-12-11-20(24-25(21)22)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3.
What are the key properties of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine?
6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 453.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118720972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).