3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine

C20H17N3O2S2 — CID 155537745

IUPAC3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)c1cccc(-c2ccc3ncc(-c4cccc(S(C)=O)c4)n3n2)c1
InChIInChI=1S/C20H17N3O2S2/c1-26(24)16-7-3-5-14(11-16)18-9-10-20-21-13-19(23(20)22-18)15-6-4-8-17(12-15)27(2)25/h3-13H,1-2H3
InChIKeyLYCGFALANCIGKS-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.54
Rot. Bonds4

About 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine

3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 155537745) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
PubChem CID155537745
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)c1cccc(-c2ccc3ncc(-c4cccc(S(C)=O)c4)n3n2)c1
InChIInChI=1S/C20H17N3O2S2/c1-26(24)16-7-3-5-14(11-16)18-9-10-20-21-13-19(23(20)22-18)15-6-4-8-17(12-15)27(2)25/h3-13H,1-2H3
InChIKeyLYCGFALANCIGKS-UHFFFAOYSA-N
XLogP3.54
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine (CID 155537745) is 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine is CS(=O)c1cccc(-c2ccc3ncc(-c4cccc(S(C)=O)c4)n3n2)c1.
What is the InChIKey of 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is LYCGFALANCIGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-26(24)16-7-3-5-14(11-16)18-9-10-20-21-13-19(23(20)22-18)15-6-4-8-17(12-15)27(2)25/h3-13H,1-2H3.
What are the key properties of 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine?
3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 395.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155537745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).