3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine

C18H15FN4O2 — CID 71528850

IUPAC3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
SMILESNC1CC(Oc2ccc3ncc(-c4cc5c(F)cccc5o4)n3n2)C1
InChIInChI=1S/C18H15FN4O2/c19-13-2-1-3-15-12(13)8-16(25-15)14-9-21-17-4-5-18(22-23(14)17)24-11-6-10(20)7-11/h1-5,8-11H,6-7,20H2
InChIKeyMKYSZCCFHYTXLQ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.15
Rot. Bonds3

About 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine

3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine (PubChem CID 71528850) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
PubChem CID71528850
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
SMILESNC1CC(Oc2ccc3ncc(-c4cc5c(F)cccc5o4)n3n2)C1
InChIInChI=1S/C18H15FN4O2/c19-13-2-1-3-15-12(13)8-16(25-15)14-9-21-17-4-5-18(22-23(14)17)24-11-6-10(20)7-11/h1-5,8-11H,6-7,20H2
InChIKeyMKYSZCCFHYTXLQ-UHFFFAOYSA-N
XLogP3.15
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
The IUPAC name of 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine (CID 71528850) is 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine.
What is the SMILES notation for 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
The canonical SMILES for 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine is NC1CC(Oc2ccc3ncc(-c4cc5c(F)cccc5o4)n3n2)C1.
What is the InChIKey of 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
The InChIKey is MKYSZCCFHYTXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-2-1-3-15-12(13)8-16(25-15)14-9-21-17-4-5-18(22-23(14)17)24-11-6-10(20)7-11/h1-5,8-11H,6-7,20H2.
What are the key properties of 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine has a molecular weight of 338.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 71528850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).