2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine

C23H17F3N4O2 — CID 71295094

IUPAC2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)16-6-3-5-14(10-16)20(12-27)32-22-9-8-21-28-13-17(30(21)29-22)19-11-15-4-1-2-7-18(15)31-19/h1-11,13,20H,12,27H2
InChIKeyALAORILNONEACX-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.24
Rot. Bonds5

About 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 71295094) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID71295094
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)16-6-3-5-14(10-16)20(12-27)32-22-9-8-21-28-13-17(30(21)29-22)19-11-15-4-1-2-7-18(15)31-19/h1-11,13,20H,12,27H2
InChIKeyALAORILNONEACX-UHFFFAOYSA-N
XLogP5.24
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine 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-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 71295094) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine is NCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ALAORILNONEACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)16-6-3-5-14(10-16)20(12-27)32-22-9-8-21-28-13-17(30(21)29-22)19-11-15-4-1-2-7-18(15)31-19/h1-11,13,20H,12,27H2.
What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 438.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 71295094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).