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

C17H15ClN4O — CID 118875405

IUPACazetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCc1ccc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc1Cl
InChIInChI=1S/C17H15ClN4O/c1-11-5-6-12(10-13(11)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
InChIKeyMBBSPQBGJJWYLF-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.20
Rot. Bonds2

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

azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone (PubChem CID 118875405) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
PubChem CID118875405
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Nameazetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCc1ccc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc1Cl
InChIInChI=1S/C17H15ClN4O/c1-11-5-6-12(10-13(11)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
InChIKeyMBBSPQBGJJWYLF-UHFFFAOYSA-N
XLogP3.20
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone (CID 118875405) is azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone is Cc1ccc(-c2c(C(=O)N3CCC3)nc3cccnn23)cc1Cl.
What is the InChIKey of azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The InChIKey is MBBSPQBGJJWYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-5-6-12(10-13(11)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-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone?
azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone has a molecular weight of 326.79 g/mol, XLogP of 3.20, 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-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone is sourced from PubChem (CID 118875405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).