6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine

C23H30ClN5O — CID 144817790

IUPAC6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C=O)nc12.CN1CCNCC1(C)C
InChIInChI=1S/C16H14ClN3O.C7H16N2/c1-10(2)14-7-15(11-3-5-12(17)6-4-11)19-20-8-13(9-21)18-16(14)20;1-7(2)6-8-4-5-9(7)3/h3-10H,1-2H3;8H,4-6H2,1-3H3
InChIKeyAXKWEMJGEPBWKP-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.29
Rot. Bonds3

About 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine

6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine (PubChem CID 144817790) has the molecular formula C23H30ClN5O and a molecular weight of 427.98 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
PubChem CID144817790
Molecular FormulaC23H30ClN5O
Molecular Weight427.98 g/mol
Exact Mass427.21
IUPAC Name6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C=O)nc12.CN1CCNCC1(C)C
InChIInChI=1S/C16H14ClN3O.C7H16N2/c1-10(2)14-7-15(11-3-5-12(17)6-4-11)19-20-8-13(9-21)18-16(14)20;1-7(2)6-8-4-5-9(7)3/h3-10H,1-2H3;8H,4-6H2,1-3H3
InChIKeyAXKWEMJGEPBWKP-UHFFFAOYSA-N
XLogP4.29
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
The IUPAC name of 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine (CID 144817790) is 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine.
What is the SMILES notation for 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
The canonical SMILES for 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine is CC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C=O)nc12.CN1CCNCC1(C)C.
What is the InChIKey of 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
The InChIKey is AXKWEMJGEPBWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.C7H16N2/c1-10(2)14-7-15(11-3-5-12(17)6-4-11)19-20-8-13(9-21)18-16(14)20;1-7(2)6-8-4-5-9(7)3/h3-10H,1-2H3;8H,4-6H2,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine has a molecular weight of 427.98 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine is sourced from PubChem (CID 144817790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).