6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C23H23FN6 — CID 25143829

IUPAC6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCC1(C)CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C23H23FN6/c1-23(2)15-29(14-13-26-23)20-8-7-19-27-21(16-3-5-18(24)6-4-16)22(30(19)28-20)17-9-11-25-12-10-17/h3-12,26H,13-15H2,1-2H3
InChIKeyNXBFCBISMOWLHH-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.79
Rot. Bonds3

About 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25143829) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25143829
Molecular FormulaC23H23FN6
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC Name6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCC1(C)CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C23H23FN6/c1-23(2)15-29(14-13-26-23)20-8-7-19-27-21(16-3-5-18(24)6-4-16)22(30(19)28-20)17-9-11-25-12-10-17/h3-12,26H,13-15H2,1-2H3
InChIKeyNXBFCBISMOWLHH-UHFFFAOYSA-N
XLogP3.79
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-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

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25143829) is 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CC1(C)CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1.
What is the InChIKey of 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is NXBFCBISMOWLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c1-23(2)15-29(14-13-26-23)20-8-7-19-27-21(16-3-5-18(24)6-4-16)22(30(19)28-20)17-9-11-25-12-10-17/h3-12,26H,13-15H2,1-2H3.
What are the key properties of 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 402.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25143829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).