3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine

C23H19FN4O2 — CID 89434370

IUPAC3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine
SMILESNCCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-7-5-15(6-8-17)20(11-12-25)30-23-10-9-22-26-14-18(28(22)27-23)21-13-16-3-1-2-4-19(16)29-21/h1-10,13-14,20H,11-12,25H2
InChIKeyYXIBSMCVBWBETL-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.75
Rot. Bonds6

About 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine

3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine (PubChem CID 89434370) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine
PubChem CID89434370
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine
SMILESNCCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-7-5-15(6-8-17)20(11-12-25)30-23-10-9-22-26-14-18(28(22)27-23)21-13-16-3-1-2-4-19(16)29-21/h1-10,13-14,20H,11-12,25H2
InChIKeyYXIBSMCVBWBETL-UHFFFAOYSA-N
XLogP4.75
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine 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 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine (CID 89434370) is 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine is NCCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1.
What is the InChIKey of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is YXIBSMCVBWBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-7-5-15(6-8-17)20(11-12-25)30-23-10-9-22-26-14-18(28(22)27-23)21-13-16-3-1-2-4-19(16)29-21/h1-10,13-14,20H,11-12,25H2.
What are the key properties of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 402.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 89434370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).