methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate

C16H12ClN3O3 — CID 42536775

IUPACmethyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H12ClN3O3/c1-23-16(22)10-2-5-12(6-3-10)18-15(21)13-9-20-8-11(17)4-7-14(20)19-13/h2-9H,1H3,(H,18,21)
InChIKeyGBXGYTBUWOWTFS-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.03
Rot. Bonds3

About methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate

methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate (PubChem CID 42536775) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
PubChem CID42536775
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Namemethyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H12ClN3O3/c1-23-16(22)10-2-5-12(6-3-10)18-15(21)13-9-20-8-11(17)4-7-14(20)19-13/h2-9H,1H3,(H,18,21)
InChIKeyGBXGYTBUWOWTFS-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
6-acetyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 24771670
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42536764
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
6-benzoyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 68615384
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 171137660
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-methoxyacetamide
CID 42737495
4-bromo-N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 42737491

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate (CID 42536775) is methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
The InChIKey is GBXGYTBUWOWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-23-16(22)10-2-5-12(6-3-10)18-15(21)13-9-20-8-11(17)4-7-14(20)19-13/h2-9H,1H3,(H,18,21).
What are the key properties of methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate has a molecular weight of 329.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 42536775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).