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

C22H18N4S — CID 90393438

IUPAC3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1C
InChIInChI=1S/C22H18N4S/c1-14-7-8-17(11-15(14)2)24-21-9-10-22-23-13-18(26(22)25-21)20-12-16-5-3-4-6-19(16)27-20/h3-13H,1-2H3,(H,24,25)
InChIKeyMAFRHIJCKVODKE-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.97
Rot. Bonds3

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

3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90393438) has the molecular formula C22H18N4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID90393438
Molecular FormulaC22H18N4S
Molecular Weight370.48 g/mol
Exact Mass370.13
IUPAC Name3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1C
InChIInChI=1S/C22H18N4S/c1-14-7-8-17(11-15(14)2)24-21-9-10-22-23-13-18(26(22)25-21)20-12-16-5-3-4-6-19(16)27-20/h3-13H,1-2H3,(H,24,25)
InChIKeyMAFRHIJCKVODKE-UHFFFAOYSA-N
XLogP5.97
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 90393438) is 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1C.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MAFRHIJCKVODKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4S/c1-14-7-8-17(11-15(14)2)24-21-9-10-22-23-13-18(26(22)25-21)20-12-16-5-3-4-6-19(16)27-20/h3-13H,1-2H3,(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 370.48 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90393438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).