1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone

C18H20N4O2S — CID 24996722

IUPAC1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)s1
InChIInChI=1S/C18H20N4O2S/c1-11(23)15-6-7-16(25-15)14-10-19-18-9-8-17(21-22(14)18)20-12-2-4-13(24)5-3-12/h6-10,12-13,24H,2-5H2,1H3,(H,20,21)
InChIKeyRQAAYJGPSRMHLZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.38
Rot. Bonds4

About 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone

1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone (PubChem CID 24996722) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
PubChem CID24996722
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)s1
InChIInChI=1S/C18H20N4O2S/c1-11(23)15-6-7-16(25-15)14-10-19-18-9-8-17(21-22(14)18)20-12-2-4-13(24)5-3-12/h6-10,12-13,24H,2-5H2,1H3,(H,20,21)
InChIKeyRQAAYJGPSRMHLZ-UHFFFAOYSA-N
XLogP3.38
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone (CID 24996722) is 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)s1.
What is the InChIKey of 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
The InChIKey is RQAAYJGPSRMHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11(23)15-6-7-16(25-15)14-10-19-18-9-8-17(21-22(14)18)20-12-2-4-13(24)5-3-12/h6-10,12-13,24H,2-5H2,1H3,(H,20,21).
What are the key properties of 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone has a molecular weight of 356.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).