3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine

C16H14BrFN4O2 — CID 170631114

IUPAC3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine
SMILESCOc1cc2ncc(-c3nc(Br)c(C)cc3F)n2nc1C1COC1
InChIInChI=1S/C16H14BrFN4O2/c1-8-3-10(18)15(20-16(8)17)11-5-19-13-4-12(23-2)14(21-22(11)13)9-6-24-7-9/h3-5,9H,6-7H2,1-2H3
InChIKeyUBOXLXYKPWLNBS-UHFFFAOYSA-N
MW393.22 g/mol
LogP3.12
Rot. Bonds3

About 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine

3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine (PubChem CID 170631114) has the molecular formula C16H14BrFN4O2 and a molecular weight of 393.22 g/mol. Its IUPAC name is 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine
PubChem CID170631114
Molecular FormulaC16H14BrFN4O2
Molecular Weight393.22 g/mol
Exact Mass392.03
IUPAC Name3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine
SMILESCOc1cc2ncc(-c3nc(Br)c(C)cc3F)n2nc1C1COC1
InChIInChI=1S/C16H14BrFN4O2/c1-8-3-10(18)15(20-16(8)17)11-5-19-13-4-12(23-2)14(21-22(11)13)9-6-24-7-9/h3-5,9H,6-7H2,1-2H3
InChIKeyUBOXLXYKPWLNBS-UHFFFAOYSA-N
XLogP3.12
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine (CID 170631114) is 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine is COc1cc2ncc(-c3nc(Br)c(C)cc3F)n2nc1C1COC1.
What is the InChIKey of 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine?
The InChIKey is UBOXLXYKPWLNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O2/c1-8-3-10(18)15(20-16(8)17)11-5-19-13-4-12(23-2)14(21-22(11)13)9-6-24-7-9/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine?
3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine has a molecular weight of 393.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-6-(oxetan-3-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 170631114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).