azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone

C18H16N4O3 — CID 118875392

IUPACazetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESO=C(c1nc2cccnn2c1-c1ccc2c(c1)OCCO2)N1CCC1
InChIInChI=1S/C18H16N4O3/c23-18(21-7-2-8-21)16-17(22-15(20-16)3-1-6-19-22)12-4-5-13-14(11-12)25-10-9-24-13/h1,3-6,11H,2,7-10H2
InChIKeyKQJWGLFCGGXBHN-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.01
Rot. Bonds2

About azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone

azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone (PubChem CID 118875392) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone
PubChem CID118875392
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Nameazetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESO=C(c1nc2cccnn2c1-c1ccc2c(c1)OCCO2)N1CCC1
InChIInChI=1S/C18H16N4O3/c23-18(21-7-2-8-21)16-17(22-15(20-16)3-1-6-19-22)12-4-5-13-14(11-12)25-10-9-24-13/h1,3-6,11H,2,7-10H2
InChIKeyKQJWGLFCGGXBHN-UHFFFAOYSA-N
XLogP2.01
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone (CID 118875392) is azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone is O=C(c1nc2cccnn2c1-c1ccc2c(c1)OCCO2)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone?
The InChIKey is KQJWGLFCGGXBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(21-7-2-8-21)16-17(22-15(20-16)3-1-6-19-22)12-4-5-13-14(11-12)25-10-9-24-13/h1,3-6,11H,2,7-10H2.
What are the key properties of azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone?
azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone has a molecular weight of 336.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone is sourced from PubChem (CID 118875392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).