3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C19H18N4O2S — CID 58857915

IUPAC3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1OC
InChIInChI=1S/C19H18N4O2S/c1-24-16-6-5-13(10-17(16)25-2)15-12-21-19-8-7-18(22-23(15)19)20-11-14-4-3-9-26-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeySIDFXTGTBVYILK-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.09
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857915) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857915
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1OC
InChIInChI=1S/C19H18N4O2S/c1-24-16-6-5-13(10-17(16)25-2)15-12-21-19-8-7-18(22-23(15)19)20-11-14-4-3-9-26-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeySIDFXTGTBVYILK-UHFFFAOYSA-N
XLogP4.09
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857915) is 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SIDFXTGTBVYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-24-16-6-5-13(10-17(16)25-2)15-12-21-19-8-7-18(22-23(15)19)20-11-14-4-3-9-26-14/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 366.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).