1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone

C15H12FN3O — CID 167689967

IUPAC1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)nc2ccc(C)nn12
InChIInChI=1S/C15H12FN3O/c1-9-7-8-13-17-14(11-5-3-4-6-12(11)16)15(10(2)20)19(13)18-9/h3-8H,1-2H3
InChIKeyWTXUJKGASXOBTP-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.05
Rot. Bonds2

About 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone

1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone (PubChem CID 167689967) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone
PubChem CID167689967
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)nc2ccc(C)nn12
InChIInChI=1S/C15H12FN3O/c1-9-7-8-13-17-14(11-5-3-4-6-12(11)16)15(10(2)20)19(13)18-9/h3-8H,1-2H3
InChIKeyWTXUJKGASXOBTP-UHFFFAOYSA-N
XLogP3.05
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455577
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455580
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
7-[5-Methyl-2-(1-pyrrolidinyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455583
N,N-diethyl-2-[2-(4-fluorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197027
(2-Methylimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 2998403
7-(2-Methylamino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455581
7-[5-Methyl-2-(1-piperidyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455584
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 659679
Phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
CID 46946079
[1-[4-(Dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone
CID 46946082
3-Phenyl-1,2,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,4,6,9(16),10,12,14-heptaen-8-one
CID 53388867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone (CID 167689967) is 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone is CC(=O)c1c(-c2ccccc2F)nc2ccc(C)nn12.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone?
The InChIKey is WTXUJKGASXOBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-7-8-13-17-14(11-5-3-4-6-12(11)16)15(10(2)20)19(13)18-9/h3-8H,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone?
1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone has a molecular weight of 269.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]ethanone is sourced from PubChem (CID 167689967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).