ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate

C13H12ClN5O2 — CID 139488298

IUPACethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cn3nc(Cl)ccc3n2)cn1
InChIInChI=1S/C13H12ClN5O2/c1-2-21-13(20)10-7-18(8-15-10)5-9-6-19-12(16-9)4-3-11(14)17-19/h3-4,6-8H,2,5H2,1H3
InChIKeyVYWMUVQKEZNWFA-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.80
Rot. Bonds4

About ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate

ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate (PubChem CID 139488298) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
PubChem CID139488298
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Nameethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cn3nc(Cl)ccc3n2)cn1
InChIInChI=1S/C13H12ClN5O2/c1-2-21-13(20)10-7-18(8-15-10)5-9-6-19-12(16-9)4-3-11(14)17-19/h3-4,6-8H,2,5H2,1H3
InChIKeyVYWMUVQKEZNWFA-UHFFFAOYSA-N
XLogP1.80
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate
CID 114203722
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
6-chloro-2-ethoxyimidazo[1,2-b]pyridazine
CID 14088205
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate
CID 114203747
ethyl 1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]imidazole-4-carboxylate
CID 146392266
ethyl 1-[(3-methyl-4-pyridinyl)methyl]imidazole-4-carboxylate
CID 114203788
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
ethyl 1-[2-[(7-chloropyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
CID 127266751
ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate
CID 139488219
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659114
ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
CID 126508947

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate (CID 139488298) is ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate is CCOC(=O)c1cn(Cc2cn3nc(Cl)ccc3n2)cn1.
What is the InChIKey of ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate?
The InChIKey is VYWMUVQKEZNWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-2-21-13(20)10-7-18(8-15-10)5-9-6-19-12(16-9)4-3-11(14)17-19/h3-4,6-8H,2,5H2,1H3.
What are the key properties of ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate?
ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate has a molecular weight of 305.73 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 139488298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).