8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone

C26H34FN5O2 — CID 144817753

IUPAC8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)C(C)(C)C1.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12
InChIInChI=1S/C17H16FN3O.C9H18N2O/c1-17(2,3)14-8-15(11-4-6-12(18)7-5-11)20-21-9-13(10-22)19-16(14)21;1-8(12)11-6-5-10(4)9(2,3)7-11/h4-10H,1-3H3;5-7H2,1-4H3
InChIKeyGPMJDWNZACGOMH-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.20
Rot. Bonds2

About 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone

8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 144817753) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID144817753
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)C(C)(C)C1.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12
InChIInChI=1S/C17H16FN3O.C9H18N2O/c1-17(2,3)14-8-15(11-4-6-12(18)7-5-11)20-21-9-13(10-22)19-16(14)21;1-8(12)11-6-5-10(4)9(2,3)7-11/h4-10H,1-3H3;5-7H2,1-4H3
InChIKeyGPMJDWNZACGOMH-UHFFFAOYSA-N
XLogP4.20
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
8-tert-butyl-6-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;pyrimidin-2-yl-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817471
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
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
methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate
CID 155355533
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
6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817670
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
[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-cyclobutylmethanone
CID 144817724
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 144817753) is 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)C(C)(C)C1.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12.
What is the InChIKey of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is GPMJDWNZACGOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O.C9H18N2O/c1-17(2,3)14-8-15(11-4-6-12(18)7-5-11)20-21-9-13(10-22)19-16(14)21;1-8(12)11-6-5-10(4)9(2,3)7-11/h4-10H,1-3H3;5-7H2,1-4H3.
What are the key properties of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 467.59 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 144817753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).