4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol

C16H18N4OS — CID 24996718

IUPAC4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4ccsc4)n3n2)CC1
InChIInChI=1S/C16H18N4OS/c21-13-3-1-12(2-4-13)18-15-5-6-16-17-9-14(20(16)19-15)11-7-8-22-10-11/h5-10,12-13,21H,1-4H2,(H,18,19)
InChIKeyBOIZJFFSGKRTSZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.17
Rot. Bonds3

About 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol

4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (PubChem CID 24996718) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
PubChem CID24996718
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4ccsc4)n3n2)CC1
InChIInChI=1S/C16H18N4OS/c21-13-3-1-12(2-4-13)18-15-5-6-16-17-9-14(20(16)19-15)11-7-8-22-10-11/h5-10,12-13,21H,1-4H2,(H,18,19)
InChIKeyBOIZJFFSGKRTSZ-UHFFFAOYSA-N
XLogP3.17
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 126673008
CID 126673008
CID 137638472
CID 137638472
CID 137643721
CID 137643721
CID 137658970
CID 137658970
CID 24997038
CID 24997038
CID 6419790
CID 6419790
CID 6419824
CID 6419824
CID 58857883
CID 58857883
CID 126673064
CID 126673064
CID 67256956
CID 67256956
CID 67258234
CID 67258234
CID 67259161
CID 67259161

Frequently Asked Questions

What is the IUPAC name of 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (CID 24996718) is 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4ccsc4)n3n2)CC1.
What is the InChIKey of 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
The InChIKey is BOIZJFFSGKRTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-13-3-1-12(2-4-13)18-15-5-6-16-17-9-14(20(16)19-15)11-7-8-22-10-11/h5-10,12-13,21H,1-4H2,(H,18,19).
What are the key properties of 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?
4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol has a molecular weight of 314.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 24996718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).