2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine

C23H28FN5O2 — CID 144817184

IUPAC2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine
SMILESCC1(C)C(=O)NCCN1C=O.Cc1cn2nc(-c3cccc(F)c3)cc(C(C)C)c2n1
InChIInChI=1S/C16H16FN3.C7H12N2O2/c1-10(2)14-8-15(12-5-4-6-13(17)7-12)19-20-9-11(3)18-16(14)20;1-7(2)6(11)8-3-4-9(7)5-10/h4-10H,1-3H3;5H,3-4H2,1-2H3,(H,8,11)
InChIKeyWYPYHGHTXXRWNS-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.32
Rot. Bonds3

About 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine

2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine (PubChem CID 144817184) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine
PubChem CID144817184
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine
SMILESCC1(C)C(=O)NCCN1C=O.Cc1cn2nc(-c3cccc(F)c3)cc(C(C)C)c2n1
InChIInChI=1S/C16H16FN3.C7H12N2O2/c1-10(2)14-8-15(12-5-4-6-13(17)7-12)19-20-9-11(3)18-16(14)20;1-7(2)6(11)8-3-4-9(7)5-10/h4-10H,1-3H3;5H,3-4H2,1-2H3,(H,8,11)
InChIKeyWYPYHGHTXXRWNS-UHFFFAOYSA-N
XLogP3.32
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817267
4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbaldehyde
CID 144817343
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
4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
CID 158449509
6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817164
4-[8-(1,1-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone
CID 160685631
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790
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-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817626
[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone
CID 123958356
4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
CID 55216696

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine (CID 144817184) is 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine is CC1(C)C(=O)NCCN1C=O.Cc1cn2nc(-c3cccc(F)c3)cc(C(C)C)c2n1.
What is the InChIKey of 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is WYPYHGHTXXRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3.C7H12N2O2/c1-10(2)14-8-15(12-5-4-6-13(17)7-12)19-20-9-11(3)18-16(14)20;1-7(2)6(11)8-3-4-9(7)5-10/h4-10H,1-3H3;5H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine?
2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 425.51 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxopiperazine-1-carbaldehyde;6-(3-fluorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 144817184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).