3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine

C23H20N4OS — CID 90393439

IUPAC3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc(C)c1C
InChIInChI=1S/C23H20N4OS/c1-14-10-17(12-19(28-3)15(14)2)25-22-8-9-23-24-13-18(27(23)26-22)21-11-16-6-4-5-7-20(16)29-21/h4-13H,1-3H3,(H,25,26)
InChIKeyKBEZWBAVPNXLIY-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.98
Rot. Bonds4

About 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90393439) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID90393439
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc(C)c1C
InChIInChI=1S/C23H20N4OS/c1-14-10-17(12-19(28-3)15(14)2)25-22-8-9-23-24-13-18(27(23)26-22)21-11-16-6-4-5-7-20(16)29-21/h4-13H,1-3H3,(H,25,26)
InChIKeyKBEZWBAVPNXLIY-UHFFFAOYSA-N
XLogP5.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-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-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 90393439) is 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc(C)c1C.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KBEZWBAVPNXLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-14-10-17(12-19(28-3)15(14)2)25-22-8-9-23-24-13-18(27(23)26-22)21-11-16-6-4-5-7-20(16)29-21/h4-13H,1-3H3,(H,25,26).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 400.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90393439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).