Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate

C₁₆H₂₁ClN₄O₂ — CID 155561419

About Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate

Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate (PubChem CID 155561419) has the molecular formula C₁₆H₂₁ClN₄O₂ and a molecular weight of 336.82 g/mol. Its IUPAC name is tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate
• PubChem CID: 155561419
• Molecular Formula: C₁₆H₂₁ClN₄O₂
• Molecular Weight: 336.82 g/mol
• Exact Mass: 336.14
• IUPAC Name: tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCCC(c2cn3nc(Cl)ccc3n2)C1
• InChI: InChI=1S/C16H21ClN4O2/c1-16(2,3)23-15(22)20-8-4-5-11(9-20)12-10-21-14(18-12)7-6-13(17)19-21/h6-7,10-11H,4-5,8-9H2,1-3H3
• InChIKey: YUJMVQRARJMDMW-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 59.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.82
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate?

The IUPAC name of Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate (CID 155561419) is tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate?

The canonical SMILES for Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cn3nc(Cl)ccc3n2)C1.

What is the InChIKey of Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate?

The InChIKey is YUJMVQRARJMDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-16(2,3)23-15(22)20-8-4-5-11(9-20)12-10-21-14(18-12)7-6-13(17)19-21/h6-7,10-11H,4-5,8-9H2,1-3H3.

What are the key properties of Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate?

Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate has a molecular weight of 336.82 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 155561419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155561419 — identifiers, structure, computed properties (public domain)

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