4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide

C17H17ClN4O — CID 59175581

IUPAC4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H17ClN4O/c1-17(2,3)12-6-4-11(5-7-12)16(23)20-14-10-22-15(19-14)9-8-13(18)21-22/h4-10H,1-3H3,(H,20,23)
InChIKeyYQXAFKLJIYOYNA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.93
Rot. Bonds2

About 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide

4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide (PubChem CID 59175581) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
PubChem CID59175581
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H17ClN4O/c1-17(2,3)12-6-4-11(5-7-12)16(23)20-14-10-22-15(19-14)9-8-13(18)21-22/h4-10H,1-3H3,(H,20,23)
InChIKeyYQXAFKLJIYOYNA-UHFFFAOYSA-N
XLogP3.93
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide (CID 59175581) is 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3nc(Cl)ccc3n2)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide?
The InChIKey is YQXAFKLJIYOYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-17(2,3)12-6-4-11(5-7-12)16(23)20-14-10-22-15(19-14)9-8-13(18)21-22/h4-10H,1-3H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide?
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide is sourced from PubChem (CID 59175581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).