2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol

C20H21N5OS — CID 78426973

IUPAC2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1
InChIInChI=1S/C20H21N5OS/c26-12-11-23-7-9-24(10-8-23)20-6-5-19-21-14-16(25(19)22-20)18-13-15-3-1-2-4-17(15)27-18/h1-6,13-14,26H,7-12H2
InChIKeyKNHHNNXHOMNBCM-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol

2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol (PubChem CID 78426973) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
PubChem CID78426973
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1
InChIInChI=1S/C20H21N5OS/c26-12-11-23-7-9-24(10-8-23)20-6-5-19-21-14-16(25(19)22-20)18-13-15-3-1-2-4-17(15)27-18/h1-6,13-14,26H,7-12H2
InChIKeyKNHHNNXHOMNBCM-UHFFFAOYSA-N
XLogP2.73
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol (CID 78426973) is 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc3ncc(-c4cc5ccccc5s4)n3n2)CC1.
What is the InChIKey of 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
The InChIKey is KNHHNNXHOMNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-12-11-23-7-9-24(10-8-23)20-6-5-19-21-14-16(25(19)22-20)18-13-15-3-1-2-4-17(15)27-18/h1-6,13-14,26H,7-12H2.
What are the key properties of 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol has a molecular weight of 379.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 78426973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).