N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide

C19H15F3N4O4S — CID 71534714

IUPACN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESCS(=O)(CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F
InChIInChI=1S/C19H15F3N4O4S/c1-31(28,25-18(27)19(20,21)22)9-8-29-17-7-6-16-23-11-13(26(16)24-17)15-10-12-4-2-3-5-14(12)30-15/h2-7,10-11H,8-9H2,1H3
InChIKeyQPBHKIUVEBNLQM-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.71
Rot. Bonds5

About N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide

N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide (PubChem CID 71534714) has the molecular formula C19H15F3N4O4S and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
PubChem CID71534714
Molecular FormulaC19H15F3N4O4S
Molecular Weight452.41 g/mol
Exact Mass452.08
IUPAC NameN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESCS(=O)(CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F
InChIInChI=1S/C19H15F3N4O4S/c1-31(28,25-18(27)19(20,21)22)9-8-29-17-7-6-16-23-11-13(26(16)24-17)15-10-12-4-2-3-5-14(12)30-15/h2-7,10-11H,8-9H2,1H3
InChIKeyQPBHKIUVEBNLQM-UHFFFAOYSA-N
XLogP3.71
TPSA99.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide 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 N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide (CID 71534714) is N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide is CS(=O)(CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
The InChIKey is QPBHKIUVEBNLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4S/c1-31(28,25-18(27)19(20,21)22)9-8-29-17-7-6-16-23-11-13(26(16)24-17)15-10-12-4-2-3-5-14(12)30-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide has a molecular weight of 452.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 71534714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).