azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone

C17H15FN4O2 — CID 126700180

IUPACazetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCOc1ccc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc1F
InChIInChI=1S/C17H15FN4O2/c1-24-13-6-5-11(10-12(13)18)16-15(17(23)21-8-3-9-21)20-14-4-2-7-19-22(14)16/h2,4-7,10H,3,8-9H2,1H3
InChIKeyGGBSVVWNJGUOLN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.39
Rot. Bonds3

About azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone

azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone (PubChem CID 126700180) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
PubChem CID126700180
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Nameazetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCOc1ccc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc1F
InChIInChI=1S/C17H15FN4O2/c1-24-13-6-5-11(10-12(13)18)16-15(17(23)21-8-3-9-21)20-14-4-2-7-19-22(14)16/h2,4-7,10H,3,8-9H2,1H3
InChIKeyGGBSVVWNJGUOLN-UHFFFAOYSA-N
XLogP2.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone (CID 126700180) is azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone is COc1ccc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc1F.
What is the InChIKey of azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The InChIKey is GGBSVVWNJGUOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-24-13-6-5-11(10-12(13)18)16-15(17(23)21-8-3-9-21)20-14-4-2-7-19-22(14)16/h2,4-7,10H,3,8-9H2,1H3.
What are the key properties of azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone has a molecular weight of 326.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone is sourced from PubChem (CID 126700180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).