3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

C22H18N4O2S — CID 78426265

IUPAC3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1OC
InChIInChI=1S/C22H18N4O2S/c1-27-17-8-5-7-15(22(17)28-2)24-20-10-11-21-23-13-16(26(21)25-20)19-12-14-6-3-4-9-18(14)29-19/h3-13H,1-2H3,(H,24,25)
InChIKeySSTKNJIXOOMRJI-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.37
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 78426265) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID78426265
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1OC
InChIInChI=1S/C22H18N4O2S/c1-27-17-8-5-7-15(22(17)28-2)24-20-10-11-21-23-13-16(26(21)25-20)19-12-14-6-3-4-9-18(14)29-19/h3-13H,1-2H3,(H,24,25)
InChIKeySSTKNJIXOOMRJI-UHFFFAOYSA-N
XLogP5.37
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)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-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 78426265) is 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1OC.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SSTKNJIXOOMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-27-17-8-5-7-15(22(17)28-2)24-20-10-11-21-23-13-16(26(21)25-20)19-12-14-6-3-4-9-18(14)29-19/h3-13H,1-2H3,(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 402.48 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78426265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).