1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine

C25H21N5O2 — CID 71014927

About 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine

1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 71014927) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

• Compound Name: 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine
• PubChem CID: 71014927
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine
• SMILES: NC(COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C25H21N5O2/c26-18(11-17-13-27-20-7-3-2-6-19(17)20)15-31-25-10-9-24-28-14-21(30(24)29-25)23-12-16-5-1-4-8-22(16)32-23/h1-10,12-14,18,27H,11,15,26H2
• InChIKey: UKOAYDOIKGFOOM-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 94.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine?

The IUPAC name of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine (CID 71014927) is 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine.

What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine?

The canonical SMILES for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine is NC(COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)Cc1c[nH]c2ccccc12.

What is the InChIKey of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine?

The InChIKey is UKOAYDOIKGFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c26-18(11-17-13-27-20-7-3-2-6-19(17)20)15-31-25-10-9-24-28-14-21(30(24)29-25)23-12-16-5-1-4-8-22(16)32-23/h1-10,12-14,18,27H,11,15,26H2.

What are the key properties of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine?

1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 423.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 71014927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).