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

C22H17FN4S — CID 121419101

IUPACN-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)cc1C
InChIInChI=1S/C22H17FN4S/c1-13-3-5-17(9-14(13)2)25-21-7-8-22-24-12-18(27(22)26-21)20-11-15-10-16(23)4-6-19(15)28-20/h3-12H,1-2H3,(H,25,26)
InChIKeyVOFUTWQQDVAVLQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.11
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 121419101) has the molecular formula C22H17FN4S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID121419101
Molecular FormulaC22H17FN4S
Molecular Weight388.47 g/mol
Exact Mass388.12
IUPAC NameN-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)cc1C
InChIInChI=1S/C22H17FN4S/c1-13-3-5-17(9-14(13)2)25-21-7-8-22-24-12-18(27(22)26-21)20-11-15-10-16(23)4-6-19(15)28-20/h3-12H,1-2H3,(H,25,26)
InChIKeyVOFUTWQQDVAVLQ-UHFFFAOYSA-N
XLogP6.11
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)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 N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 121419101) is N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4cc5cc(F)ccc5s4)n3n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VOFUTWQQDVAVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4S/c1-13-3-5-17(9-14(13)2)25-21-7-8-22-24-12-18(27(22)26-21)20-11-15-10-16(23)4-6-19(15)28-20/h3-12H,1-2H3,(H,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 388.47 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 121419101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).