tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate

C17H17ClN4O2 — CID 151779128

IUPACtert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate
SMILESCC(C)(C)OC(=O)c1cccc(Nc2cc(Cl)nn3ccnc23)c1
InChIInChI=1S/C17H17ClN4O2/c1-17(2,3)24-16(23)11-5-4-6-12(9-11)20-13-10-14(18)21-22-8-7-19-15(13)22/h4-10,20H,1-3H3
InChIKeyRUFHHOVXHVUTMJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate

tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate (PubChem CID 151779128) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate.

Molecular Properties

Compound Nametert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate
PubChem CID151779128
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Nametert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate
SMILESCC(C)(C)OC(=O)c1cccc(Nc2cc(Cl)nn3ccnc23)c1
InChIInChI=1S/C17H17ClN4O2/c1-17(2,3)24-16(23)11-5-4-6-12(9-11)20-13-10-14(18)21-22-8-7-19-15(13)22/h4-10,20H,1-3H3
InChIKeyRUFHHOVXHVUTMJ-UHFFFAOYSA-N
XLogP4.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate;5,7-dichloropyrazolo[1,5-a]pyrimidine
CID 159108788
tert-butyl 3-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 58314302
tert-butyl 3-(ethylamino)benzoate
CID 18375541
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 139764509
tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
CID 139447783
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid
CID 167436244
tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate
CID 139447993
tert-butyl 3-[(4-ethylphenyl)methylamino]benzoate
CID 70963157
tert-butyl azulene-5-carboxylate
CID 67371592
tert-butyl 3-(2-pyridin-3-ylethylamino)benzoate
CID 68952622
tert-butyl 3-(1,2,2-tricyanoethenylamino)benzoate
CID 168606601

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate?
The IUPAC name of tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate (CID 151779128) is tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate.
What is the SMILES notation for tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate?
The canonical SMILES for tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate is CC(C)(C)OC(=O)c1cccc(Nc2cc(Cl)nn3ccnc23)c1.
What is the InChIKey of tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate?
The InChIKey is RUFHHOVXHVUTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-17(2,3)24-16(23)11-5-4-6-12(9-11)20-13-10-14(18)21-22-8-7-19-15(13)22/h4-10,20H,1-3H3.
What are the key properties of tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate?
tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate has a molecular weight of 344.80 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]benzoate is sourced from PubChem (CID 151779128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).