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

C20H20N4O3 — CID 71295129

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

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine (PubChem CID 71295129) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine.

Molecular Properties

• Compound Name: 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine
• PubChem CID: 71295129
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine
• SMILES: NCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CCOC1
• InChI: InChI=1S/C20H20N4O3/c21-10-18(14-7-8-25-12-14)27-20-6-5-19-22-11-15(24(19)23-20)17-9-13-3-1-2-4-16(13)26-17/h1-6,9,11,14,18H,7-8,10,12,21H2
• InChIKey: OSBGMACOIDTJTO-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 87.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine?

The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine (CID 71295129) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine.

What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine?

The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine is NCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CCOC1.

What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine?

The InChIKey is OSBGMACOIDTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-10-18(14-7-8-25-12-14)27-20-6-5-19-22-11-15(24(19)23-20)17-9-13-3-1-2-4-16(13)26-17/h1-6,9,11,14,18H,7-8,10,12,21H2.

What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine?

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine has a molecular weight of 364.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 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-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 71295129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).