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

C21H22N4OS — CID 121419133

IUPAC4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc2c1
InChIInChI=1S/C21H22N4OS/c1-13-2-3-14-11-19(27-18(14)10-13)17-12-22-21-9-8-20(24-25(17)21)23-15-4-6-16(26)7-5-15/h2-3,8-12,15-16,26H,4-7H2,1H3,(H,23,24)
InChIKeyXADCKFQVCOTNIR-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.63
Rot. Bonds3

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

4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 121419133) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID121419133
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc2c1
InChIInChI=1S/C21H22N4OS/c1-13-2-3-14-11-19(27-18(14)10-13)17-12-22-21-9-8-20(24-25(17)21)23-15-4-6-16(26)7-5-15/h2-3,8-12,15-16,26H,4-7H2,1H3,(H,23,24)
InChIKeyXADCKFQVCOTNIR-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-(6-methyl-1-benzothiophen-2-yl)imidazo[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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 121419133) is 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc2c1.
What is the InChIKey of 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is XADCKFQVCOTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-13-2-3-14-11-19(27-18(14)10-13)17-12-22-21-9-8-20(24-25(17)21)23-15-4-6-16(26)7-5-15/h2-3,8-12,15-16,26H,4-7H2,1H3,(H,23,24).
What are the key properties of 4-[[3-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(6-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-(6-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 121419133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).