6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine

C23H29F3N6O2 — CID 171368738

About 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine

6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine (PubChem CID 171368738) has the molecular formula C23H29F3N6O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine
• PubChem CID: 171368738
• Molecular Formula: C23H29F3N6O2
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.23
• IUPAC Name: 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine
• SMILES: CCCCOc1ncc(-c2cc(N3CC(C)C(F)(F)C3)c3ncc(F)n3n2)c(OC(C)(C)C)n1
• InChI: InChI=1S/C23H29F3N6O2/c1-6-7-8-33-21-28-10-15(20(29-21)34-22(3,4)5)16-9-17(19-27-11-18(24)32(19)30-16)31-12-14(2)23(25,26)13-31/h9-11,14H,6-8,12-13H2,1-5H3
• InChIKey: HYKKKGJNKGJTOO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 77.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?

The IUPAC name of 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine (CID 171368738) is 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?

The canonical SMILES for 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine is CCCCOc1ncc(-c2cc(N3CC(C)C(F)(F)C3)c3ncc(F)n3n2)c(OC(C)(C)C)n1.

What is the InChIKey of 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?

The InChIKey is HYKKKGJNKGJTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O2/c1-6-7-8-33-21-28-10-15(20(29-21)34-22(3,4)5)16-9-17(19-27-11-18(24)32(19)30-16)31-12-14(2)23(25,26)13-31/h9-11,14H,6-8,12-13H2,1-5H3.

What are the key properties of 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?

6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine has a molecular weight of 478.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-butoxy-4-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 171368738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).