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

C16H21ClN4O2 — CID 155561419

IUPACtert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3nc(Cl)ccc3n2)C1
InChIInChI=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
InChIKeyYUJMVQRARJMDMW-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.50
Rot. Bonds1

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 Nametert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate
PubChem CID155561419
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Nametert-butyl 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3nc(Cl)ccc3n2)C1
InChIInChI=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
InChIKeyYUJMVQRARJMDMW-UHFFFAOYSA-N
XLogP3.50
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).