methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate

C13H13N3O4 — CID 12988951

IUPACmethyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(C(=O)C(=O)N(C)C)n2c1
InChIInChI=1S/C13H13N3O4/c1-15(2)12(18)11(17)9-6-14-10-5-4-8(7-16(9)10)13(19)20-3/h4-7H,1-3H3
InChIKeyZZDDHQCPRTYLID-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.39
Rot. Bonds3

About methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 12988951) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID12988951
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namemethyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(C(=O)C(=O)N(C)C)n2c1
InChIInChI=1S/C13H13N3O4/c1-15(2)12(18)11(17)9-6-14-10-5-4-8(7-16(9)10)13(19)20-3/h4-7H,1-3H3
InChIKeyZZDDHQCPRTYLID-UHFFFAOYSA-N
XLogP0.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
methyl 6-methoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 76849605
methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256294
methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
CID 76849593
methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140386
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 146840295
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536
1-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 132969705
methyl 4-[6-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-3-yl]benzoate
CID 155027257

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 12988951) is methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(C(=O)C(=O)N(C)C)n2c1.
What is the InChIKey of methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ZZDDHQCPRTYLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-15(2)12(18)11(17)9-6-14-10-5-4-8(7-16(9)10)13(19)20-3/h4-7H,1-3H3.
What are the key properties of methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 12988951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).