[1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol

C20H20N4OS — CID 78426974

IUPAC[1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1
InChIInChI=1S/C20H20N4OS/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2
InChIKeyZAZRQJPXYZTYEM-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.82
Rot. Bonds3

About [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol

[1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol (PubChem CID 78426974) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol
PubChem CID78426974
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name[1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1
InChIInChI=1S/C20H20N4OS/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2
InChIKeyZAZRQJPXYZTYEM-UHFFFAOYSA-N
XLogP3.82
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol (CID 78426974) is [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol is OCC1CCCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1.
What is the InChIKey of [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
The InChIKey is ZAZRQJPXYZTYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2.
What are the key properties of [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
[1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol has a molecular weight of 364.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 78426974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).