7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine

C₂₀H₁₉N₅O₃S — CID 155563692

About 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine

7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine (PubChem CID 155563692) has the molecular formula C₂₀H₁₉N₅O₃S and a molecular weight of 409.47 g/mol. Its IUPAC name is 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine.

Molecular Properties

• Compound Name: 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine
• PubChem CID: 155563692
• Molecular Formula: C₂₀H₁₉N₅O₃S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.12
• IUPAC Name: 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine
• SMILES: CCn1cnc2c(-c3ccnc(Oc4cccc(S(=O)(=O)CC)c4)c3)cnnc21
• InChI: InChI=1S/C20H19N5O3S/c1-3-25-13-22-19-17(12-23-24-20(19)25)14-8-9-21-18(10-14)28-15-6-5-7-16(11-15)29(26,27)4-2/h5-13H,3-4H2,1-2H3
• InChIKey: CWBDUNBBWXYMAI-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 99.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine?

The IUPAC name of 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine (CID 155563692) is 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine.

What is the SMILES notation for 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine?

The canonical SMILES for 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccnc(Oc4cccc(S(=O)(=O)CC)c4)c3)cnnc21.

What is the InChIKey of 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine?

The InChIKey is CWBDUNBBWXYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-3-25-13-22-19-17(12-23-24-20(19)25)14-8-9-21-18(10-14)28-15-6-5-7-16(11-15)29(26,27)4-2/h5-13H,3-4H2,1-2H3.

What are the key properties of 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine?

7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine has a molecular weight of 409.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-4-[2-(3-ethylsulfonylphenoxy)-4-pyridinyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 155563692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155563692 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.