azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone

C18H17FN4O — CID 126700178

IUPACazetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCc1cc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc(C)c1F
InChIInChI=1S/C18H17FN4O/c1-11-9-13(10-12(2)15(11)19)17-16(18(24)22-7-4-8-22)21-14-5-3-6-20-23(14)17/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyCTXZJNXACMKAGH-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.00
Rot. Bonds2

About azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone

azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone (PubChem CID 126700178) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
PubChem CID126700178
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Nameazetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCc1cc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc(C)c1F
InChIInChI=1S/C18H17FN4O/c1-11-9-13(10-12(2)15(11)19)17-16(18(24)22-7-4-8-22)21-14-5-3-6-20-23(14)17/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyCTXZJNXACMKAGH-UHFFFAOYSA-N
XLogP3.00
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone 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 azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone (CID 126700178) is azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone is Cc1cc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc(C)c1F.
What is the InChIKey of azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The InChIKey is CTXZJNXACMKAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11-9-13(10-12(2)15(11)19)17-16(18(24)22-7-4-8-22)21-14-5-3-6-20-23(14)17/h3,5-6,9-10H,4,7-8H2,1-2H3.
What are the key properties of azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone has a molecular weight of 324.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(4-fluoro-3,5-dimethylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone is sourced from PubChem (CID 126700178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).