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

C19H24N4OS — CID 163304079

IUPAC2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccs4)n3n2)CC1
InChIInChI=1S/C19H24N4OS/c1-19(2,24)13-5-7-14(8-6-13)21-17-9-10-18-20-12-15(23(18)22-17)16-4-3-11-25-16/h3-4,9-14,24H,5-8H2,1-2H3,(H,21,22)
InChIKeyGENMMDLXJLCFEL-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.20
Rot. Bonds4

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

2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol (PubChem CID 163304079) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol
PubChem CID163304079
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccs4)n3n2)CC1
InChIInChI=1S/C19H24N4OS/c1-19(2,24)13-5-7-14(8-6-13)21-17-9-10-18-20-12-15(23(18)22-17)16-4-3-11-25-16/h3-4,9-14,24H,5-8H2,1-2H3,(H,21,22)
InChIKeyGENMMDLXJLCFEL-UHFFFAOYSA-N
XLogP4.20
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

CID 66598080
CID 66598080
CID 126673008
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CID 137643721
CID 137643721
CID 137658970
CID 137658970
CID 6419824
CID 6419824
CID 126673064
CID 126673064
CID 71235271
CID 71235271
CID 126475788
CID 126475788
CID 155540413
CID 155540413
CID 155569366
CID 155569366
CID 58857752
CID 58857752
CID 171347216
CID 171347216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol (CID 163304079) is 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccs4)n3n2)CC1.
What is the InChIKey of 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol?
The InChIKey is GENMMDLXJLCFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-19(2,24)13-5-7-14(8-6-13)21-17-9-10-18-20-12-15(23(18)22-17)16-4-3-11-25-16/h3-4,9-14,24H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol?
2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol has a molecular weight of 356.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 163304079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).