1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

C19H14N4O — CID 25174294

IUPAC1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3cc(-c4cccnc4)cnn23)c1
InChIInChI=1S/C19H14N4O/c1-13(24)14-4-2-5-15(8-14)18-12-21-19-9-17(11-22-23(18)19)16-6-3-7-20-10-16/h2-12H,1H3
InChIKeyJUYHDEDCFAICEX-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.66
Rot. Bonds3

About 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone (PubChem CID 25174294) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
PubChem CID25174294
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3cc(-c4cccnc4)cnn23)c1
InChIInChI=1S/C19H14N4O/c1-13(24)14-4-2-5-15(8-14)18-12-21-19-9-17(11-22-23(18)19)16-6-3-7-20-10-16/h2-12H,1H3
InChIKeyJUYHDEDCFAICEX-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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Related Compounds

1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 141367130
N-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
CID 90480157
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
CID 44546286
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
3-pyridin-3-ylbenzoic acid
CID 2795575
3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 71447485
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone (CID 25174294) is 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cnc3cc(-c4cccnc4)cnn23)c1.
What is the InChIKey of 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The InChIKey is JUYHDEDCFAICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-13(24)14-4-2-5-15(8-14)18-12-21-19-9-17(11-22-23(18)19)16-6-3-7-20-10-16/h2-12H,1H3.
What are the key properties of 1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
1-[3-(7-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-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone is sourced from PubChem (CID 25174294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).