2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C18H16N4O2S — CID 135961526

IUPAC2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCOc1cc(-c2cnc3ccc(NCc4cccs4)nn23)ccc1O
InChIInChI=1S/C18H16N4O2S/c1-24-16-9-12(4-5-15(16)23)14-11-20-18-7-6-17(21-22(14)18)19-10-13-3-2-8-25-13/h2-9,11,23H,10H2,1H3,(H,19,21)
InChIKeyWDROEHWYJIEEFT-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.78
Rot. Bonds5

About 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 135961526) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID135961526
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCOc1cc(-c2cnc3ccc(NCc4cccs4)nn23)ccc1O
InChIInChI=1S/C18H16N4O2S/c1-24-16-9-12(4-5-15(16)23)14-11-20-18-7-6-17(21-22(14)18)19-10-13-3-2-8-25-13/h2-9,11,23H,10H2,1H3,(H,19,21)
InChIKeyWDROEHWYJIEEFT-UHFFFAOYSA-N
XLogP3.78
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 135961526) is 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is COc1cc(-c2cnc3ccc(NCc4cccs4)nn23)ccc1O.
What is the InChIKey of 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is WDROEHWYJIEEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-24-16-9-12(4-5-15(16)23)14-11-20-18-7-6-17(21-22(14)18)19-10-13-3-2-8-25-13/h2-9,11,23H,10H2,1H3,(H,19,21).
What are the key properties of 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 352.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 135961526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).