2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol

C18H18N4O3 — CID 71077227

IUPAC2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
SMILESCCNC(CO)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H18N4O3/c1-2-19-18(11-23)25-17-8-7-16-20-10-13(22(16)21-17)15-9-12-5-3-4-6-14(12)24-15/h3-10,18-19,23H,2,11H2,1H3
InChIKeyZHNQONMPTRIQIL-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.45
Rot. Bonds6

About 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol (PubChem CID 71077227) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
PubChem CID71077227
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
SMILESCCNC(CO)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H18N4O3/c1-2-19-18(11-23)25-17-8-7-16-20-10-13(22(16)21-17)15-9-12-5-3-4-6-14(12)24-15/h3-10,18-19,23H,2,11H2,1H3
InChIKeyZHNQONMPTRIQIL-UHFFFAOYSA-N
XLogP2.45
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N,N-diethylpentan-1-amine
CID 24850032
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine
CID 144548770
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide
CID 78322307
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine
CID 71295129
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine
CID 129171707
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol (CID 71077227) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol is CCNC(CO)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol?
The InChIKey is ZHNQONMPTRIQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-19-18(11-23)25-17-8-7-16-20-10-13(22(16)21-17)15-9-12-5-3-4-6-14(12)24-15/h3-10,18-19,23H,2,11H2,1H3.
What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol?
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol has a molecular weight of 338.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol is sourced from PubChem (CID 71077227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).