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

C20H20N4OS — CID 58857577

IUPAC4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1
InChIInChI=1S/C20H20N4OS/c25-15-7-5-14(6-8-15)22-19-9-10-20-21-12-16(24(20)23-19)18-11-13-3-1-2-4-17(13)26-18/h1-4,9-12,14-15,25H,5-8H2,(H,22,23)
InChIKeySIEOWXKVDDKGLO-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.33
Rot. Bonds3

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

4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 58857577) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID58857577
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1
InChIInChI=1S/C20H20N4OS/c25-15-7-5-14(6-8-15)22-19-9-10-20-21-12-16(24(20)23-19)18-11-13-3-1-2-4-17(13)26-18/h1-4,9-12,14-15,25H,5-8H2,(H,22,23)
InChIKeySIEOWXKVDDKGLO-UHFFFAOYSA-N
XLogP4.33
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(6-((trans)-4-Hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 24996406
(2S)-2-[[3-(3-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137643721
(2S)-2-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 137658970
3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 6419824
3-(1-benzothiophen-2-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857883
4-((3-(3-Cyano phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexanol
CID 66598157
4-((3-(3-Trifluoromethylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexanol
CID 66598158
3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475788
3-(4-fluoro-phenyl)-N-(2-thienylmethyl) imidazo[1,2-b]pyridazin-6-amine
CID 58857752
4-[[2-[(1-Phenylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134607181
4-[[2-[(1-Pyridin-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128165
4-[[2-[(1-Pyrimidin-5-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128170

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 58857577) is 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1.
What is the InChIKey of 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is SIEOWXKVDDKGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-15-7-5-14(6-8-15)22-19-9-10-20-21-12-16(24(20)23-19)18-11-13-3-1-2-4-17(13)26-18/h1-4,9-12,14-15,25H,5-8H2,(H,22,23).
What are the key properties of 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 364.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58857577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).