1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

C19H14N4O — CID 126673295

IUPAC1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccnc4)nn23)c1
InChIInChI=1S/C19H14N4O/c1-13(24)14-4-2-5-15(10-14)18-12-21-19-8-7-17(22-23(18)19)16-6-3-9-20-11-16/h2-12H,1H3
InChIKeyJLLRXHWJQPXQGV-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.66
Rot. Bonds3

About 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone (PubChem CID 126673295) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
PubChem CID126673295
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccnc4)nn23)c1
InChIInChI=1S/C19H14N4O/c1-13(24)14-4-2-5-15(10-14)18-12-21-19-8-7-17(22-23(18)19)16-6-3-9-20-11-16/h2-12H,1H3
InChIKeyJLLRXHWJQPXQGV-UHFFFAOYSA-N
XLogP3.66
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone (CID 126673295) is 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cnc3ccc(-c4cccnc4)nn23)c1.
What is the InChIKey of 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The InChIKey is JLLRXHWJQPXQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-13(24)14-4-2-5-15(10-14)18-12-21-19-8-7-17(22-23(18)19)16-6-3-9-20-11-16/h2-12H,1H3.
What are the key properties of 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone has a molecular weight of 314.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone is sourced from PubChem (CID 126673295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).