tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate

C16H16N4O2 — CID 139447993

IUPACtert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2cnc3cccnn23)c1
InChIInChI=1S/C16H16N4O2/c1-16(2,3)22-15(21)11-6-8-17-12(9-11)13-10-18-14-5-4-7-19-20(13)14/h4-10H,1-3H3
InChIKeyLFSFEYZBGMLUOS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate

tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate (PubChem CID 139447993) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate
PubChem CID139447993
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Nametert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2cnc3cccnn23)c1
InChIInChI=1S/C16H16N4O2/c1-16(2,3)22-15(21)11-6-8-17-12(9-11)13-10-18-14-5-4-7-19-20(13)14/h4-10H,1-3H3
InChIKeyLFSFEYZBGMLUOS-UHFFFAOYSA-N
XLogP2.75
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
CID 139447783
methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate
CID 162628080
tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate
CID 139447976
tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
CID 139447971
3-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazine
CID 91166867
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
methyl 4-imidazo[1,2-b]pyridazin-3-yl-5-methylsulfonylthiophene-2-carboxylate
CID 67145558
tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate
CID 151779128
tert-butyl 3-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 58314302
4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
CID 70876393
tert-butyl benzo[g]quinoline-7-carboxylate
CID 141276812

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate (CID 139447993) is tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(-c2cnc3cccnn23)c1.
What is the InChIKey of tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate?
The InChIKey is LFSFEYZBGMLUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-16(2,3)22-15(21)11-6-8-17-12(9-11)13-10-18-14-5-4-7-19-20(13)14/h4-10H,1-3H3.
What are the key properties of tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate?
tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 139447993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).