3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine

C20H16FN3O2 — CID 126673196

IUPAC3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccc(F)c4)nn23)cc1OC
InChIInChI=1S/C20H16FN3O2/c1-25-18-8-6-14(11-19(18)26-2)17-12-22-20-9-7-16(23-24(17)20)13-4-3-5-15(21)10-13/h3-12H,1-2H3
InChIKeyUXVHAQCZJMRIJV-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.22
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine

3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine (PubChem CID 126673196) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine
PubChem CID126673196
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccc(F)c4)nn23)cc1OC
InChIInChI=1S/C20H16FN3O2/c1-25-18-8-6-14(11-19(18)26-2)17-12-22-20-9-7-16(23-24(17)20)13-4-3-5-15(21)10-13/h3-12H,1-2H3
InChIKeyUXVHAQCZJMRIJV-UHFFFAOYSA-N
XLogP4.22
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Unii-XX8E5WP7FS
CID 118009787
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
ML303
CID 136141525
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine (CID 126673196) is 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine is COc1ccc(-c2cnc3ccc(-c4cccc(F)c4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine?
The InChIKey is UXVHAQCZJMRIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-25-18-8-6-14(11-19(18)26-2)17-12-22-20-9-7-16(23-24(17)20)13-4-3-5-15(21)10-13/h3-12H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine?
3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine has a molecular weight of 349.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-(3-fluorophenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 126673196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).