2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine

C28H18FN3S — CID 71699300

IUPAC2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2nc3ccc(-c4ccsc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H18FN3S/c29-24-12-10-21(11-13-24)27-28(22-8-6-20(7-9-22)19-4-2-1-3-5-19)32-26(30-27)15-14-25(31-32)23-16-17-33-18-23/h1-18H
InChIKeyPGXHUXOHSVQFKN-UHFFFAOYSA-N
MW447.54 g/mol
LogP7.60
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine

2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine (PubChem CID 71699300) has the molecular formula C28H18FN3S and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine
PubChem CID71699300
Molecular FormulaC28H18FN3S
Molecular Weight447.54 g/mol
Exact Mass447.12
IUPAC Name2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2nc3ccc(-c4ccsc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H18FN3S/c29-24-12-10-21(11-13-24)27-28(22-8-6-20(7-9-22)19-4-2-1-3-5-19)32-26(30-27)15-14-25(31-32)23-16-17-33-18-23/h1-18H
InChIKeyPGXHUXOHSVQFKN-UHFFFAOYSA-N
XLogP7.60
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-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 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine (CID 71699300) is 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine is Fc1ccc(-c2nc3ccc(-c4ccsc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is PGXHUXOHSVQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3S/c29-24-12-10-21(11-13-24)27-28(22-8-6-20(7-9-22)19-4-2-1-3-5-19)32-26(30-27)15-14-25(31-32)23-16-17-33-18-23/h1-18H.
What are the key properties of 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine?
2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 447.54 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 71699300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).