4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C21H22N4OS — CID 90388095

IUPAC4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1
InChIInChI=1S/C21H22N4OS/c1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h2,7-12,15-16,26H,3-6H2,1H3,(H,23,24)
InChIKeyFKOLBTVZMXCPSG-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.63
Rot. Bonds3

About 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 90388095) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID90388095
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1
InChIInChI=1S/C21H22N4OS/c1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h2,7-12,15-16,26H,3-6H2,1H3,(H,23,24)
InChIKeyFKOLBTVZMXCPSG-UHFFFAOYSA-N
XLogP4.63
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

(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-(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
4-[[2-[[1-(5-Methyl-3-pyridinyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128175
(2S)-2-[[3-cyclopentyl-7-[(6-thiophen-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
CID 171347216
(2S)-2-[[2-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 177658333
4-[[3-[5-(Trefluoromethyl)-2-thienyl]imidazo[1,2-b] pyridazin-6-yl]amino]bicyclo [2.2.2] octan-1-ol
CID 163304056
2-((1r,4r)-4-4-((3-(5-(Trifluoromethyl)thiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 167228035
[4-[6-(2-Thienylmethyl-amino) imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 58857573

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 90388095) is 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.
What is the InChIKey of 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is FKOLBTVZMXCPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h2,7-12,15-16,26H,3-6H2,1H3,(H,23,24).
What are the key properties of 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 378.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 90388095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).