3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane

C22H28F2N6O2 — CID 170631237

About 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane

3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane (PubChem CID 170631237) has the molecular formula C22H28F2N6O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane.

Molecular Properties

• Compound Name: 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane
• PubChem CID: 170631237
• Molecular Formula: C22H28F2N6O2
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.22
• IUPAC Name: 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane
• SMILES: CC.COc1cc2ncc(-c3nc(NC4CCCNC4)c(F)cc3F)n2nc1C1CCO1
• InChI: InChI=1S/C20H22F2N6O2.C2H6/c1-29-16-8-17-24-10-14(28(17)27-19(16)15-4-6-30-15)18-12(21)7-13(22)20(26-18)25-11-3-2-5-23-9-11;1-2/h7-8,10-11,15,23H,2-6,9H2,1H3,(H,25,26);1-2H3
• InChIKey: DUZPCDVVMWLFGH-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane?

The IUPAC name of 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane (CID 170631237) is 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane.

What is the SMILES notation for 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane?

The canonical SMILES for 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane is CC.COc1cc2ncc(-c3nc(NC4CCCNC4)c(F)cc3F)n2nc1C1CCO1.

What is the InChIKey of 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane?

The InChIKey is DUZPCDVVMWLFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2.C2H6/c1-29-16-8-17-24-10-14(28(17)27-19(16)15-4-6-30-15)18-12(21)7-13(22)20(26-18)25-11-3-2-5-23-9-11;1-2/h7-8,10-11,15,23H,2-6,9H2,1H3,(H,25,26);1-2H3.

What are the key properties of 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane?

3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane has a molecular weight of 446.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane is sourced from PubChem (CID 170631237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).