2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine

C23H23N5O2 — CID 144548770

About 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine (PubChem CID 144548770) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine.

Molecular Properties

• Compound Name: 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine
• PubChem CID: 144548770
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine
• SMILES: CC(CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.Cc1ccncc1
• InChI: InChI=1S/C17H16N4O2.C6H7N/c1-11(9-18)22-17-7-6-16-19-10-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15;1-6-2-4-7-5-3-6/h2-8,10-11H,9,18H2,1H3;2-5H,1H3
• InChIKey: ZXXHSZPBSPGARQ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 91.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	4.26
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]oxypropan-1-amine;4-methylpyridine?

The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine (CID 144548770) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine.

What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine?

The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine is CC(CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.Cc1ccncc1.

What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine?

The InChIKey is ZXXHSZPBSPGARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.C6H7N/c1-11(9-18)22-17-7-6-16-19-10-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15;1-6-2-4-7-5-3-6/h2-8,10-11H,9,18H2,1H3;2-5H,1H3.

What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine?

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine has a molecular weight of 401.47 g/mol, XLogP of 4.26, 4 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]oxypropan-1-amine;4-methylpyridine is sourced from PubChem (CID 144548770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).