6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde

C19H11F2N3O — CID 144817670

IUPAC6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESO=Cc1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H11F2N3O/c20-14-5-1-12(2-6-14)17-9-18(13-3-7-15(21)8-4-13)23-24-10-16(11-25)22-19(17)24/h1-11H
InChIKeyOZFZMGHJRAOUSS-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.15
Rot. Bonds3

About 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde

6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 144817670) has the molecular formula C19H11F2N3O and a molecular weight of 335.31 g/mol. Its IUPAC name is 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID144817670
Molecular FormulaC19H11F2N3O
Molecular Weight335.31 g/mol
Exact Mass335.09
IUPAC Name6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESO=Cc1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H11F2N3O/c20-14-5-1-12(2-6-14)17-9-18(13-3-7-15(21)8-4-13)23-24-10-16(11-25)22-19(17)24/h1-11H
InChIKeyOZFZMGHJRAOUSS-UHFFFAOYSA-N
XLogP4.15
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817546
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817267
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 144817753
6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817626
[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 170984602
N-amino-N',3,3,4-tetramethyl-2-oxopiperazine-1-carboximidamide;8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817129
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;3-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]cyclobutane-1-carboxylic acid
CID 144817566
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817833
6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817164
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790
4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde
CID 84672147

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde (CID 144817670) is 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde is O=Cc1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is OZFZMGHJRAOUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O/c20-14-5-1-12(2-6-14)17-9-18(13-3-7-15(21)8-4-13)23-24-10-16(11-25)22-19(17)24/h1-11H.
What are the key properties of 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 335.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 144817670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).