8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

C19H20F2N6O2 — CID 157033394

About 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (PubChem CID 157033394) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
• PubChem CID: 157033394
• Molecular Formula: C19H20F2N6O2
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.16
• IUPAC Name: 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
• SMILES: COc1ncc(-c2cc(N3CCC4(C3)CC(F)(F)C4)c3nccn3n2)c(OC)n1
• InChI: InChI=1S/C19H20F2N6O2/c1-28-16-12(8-23-17(24-16)29-2)13-7-14(15-22-4-6-27(15)25-13)26-5-3-18(11-26)9-19(20,21)10-18/h4,6-8H,3,5,9-11H2,1-2H3
• InChIKey: HEMFWDSKBDPQEH-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 77.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

The IUPAC name of 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (CID 157033394) is 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is COc1ncc(-c2cc(N3CCC4(C3)CC(F)(F)C4)c3nccn3n2)c(OC)n1.

What is the InChIKey of 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

The InChIKey is HEMFWDSKBDPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-28-16-12(8-23-17(24-16)29-2)13-7-14(15-22-4-6-27(15)25-13)26-5-3-18(11-26)9-19(20,21)10-18/h4,6-8H,3,5,9-11H2,1-2H3.

What are the key properties of 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?

8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine has a molecular weight of 402.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).