6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde

C17H16FN3O — CID 144817267

IUPAC6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCc1ccc(-c2cc(C(C)C)c3nc(C=O)cn3n2)cc1F
InChIInChI=1S/C17H16FN3O/c1-10(2)14-7-16(12-5-4-11(3)15(18)6-12)20-21-8-13(9-22)19-17(14)21/h4-10H,1-3H3
InChIKeyLVWSUDIOKNGBHO-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.78
Rot. Bonds3

About 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde

6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 144817267) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID144817267
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCc1ccc(-c2cc(C(C)C)c3nc(C=O)cn3n2)cc1F
InChIInChI=1S/C17H16FN3O/c1-10(2)14-7-16(12-5-4-11(3)15(18)6-12)20-21-8-13(9-22)19-17(14)21/h4-10H,1-3H3
InChIKeyLVWSUDIOKNGBHO-UHFFFAOYSA-N
XLogP3.78
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.78
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

6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817626
6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817164
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1-(1H-imidazol-5-yl)-3,3,4-trimethylpiperazin-2-one
CID 144817526
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1H-1,2,4-triazol-5-yl-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817831
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790
6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817336
6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817670
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817546
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;methyl 3-(3,3,4-trimethylpiperazine-1-carbonyl)cyclobutane-1-carboxylate
CID 144817552
2-[1-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-5,7,7-trimethylazepan-4-yl]-1-(2-methyl-1H-imidazol-5-yl)ethanone
CID 123270287
1-(1-cyclopropylethyl)-3-(3-fluoro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 79819997

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (CID 144817267) is 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is Cc1ccc(-c2cc(C(C)C)c3nc(C=O)cn3n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is LVWSUDIOKNGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-10(2)14-7-16(12-5-4-11(3)15(18)6-12)20-21-8-13(9-22)19-17(14)21/h4-10H,1-3H3.
What are the key properties of 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 297.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 144817267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).