6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C19H18F3N3O3 — CID 66598032

IUPAC6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(OCC4CCOCC4)nn23)c1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)28-15-3-1-2-14(10-15)16-11-23-17-4-5-18(24-25(16)17)27-12-13-6-8-26-9-7-13/h1-5,10-11,13H,6-9,12H2
InChIKeyFVHGTBAKDSZKOX-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.10
Rot. Bonds5

About 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 66598032) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID66598032
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(OCC4CCOCC4)nn23)c1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)28-15-3-1-2-14(10-15)16-11-23-17-4-5-18(24-25(16)17)27-12-13-6-8-26-9-7-13/h1-5,10-11,13H,6-9,12H2
InChIKeyFVHGTBAKDSZKOX-UHFFFAOYSA-N
XLogP4.10
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 66598032) is 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is FC(F)(F)Oc1cccc(-c2cnc3ccc(OCC4CCOCC4)nn23)c1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is FVHGTBAKDSZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)28-15-3-1-2-14(10-15)16-11-23-17-4-5-18(24-25(16)17)27-12-13-6-8-26-9-7-13/h1-5,10-11,13H,6-9,12H2.
What are the key properties of 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 393.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 66598032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).