ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate

C21H29N3O4 — CID 126627160

IUPACethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N3CCC(C)(C)CC3)c(CC(=O)OC)c(C)cc2n1
InChIInChI=1S/C21H29N3O4/c1-6-28-20(26)16-13-24-17(22-16)11-14(2)15(12-18(25)27-5)19(24)23-9-7-21(3,4)8-10-23/h11,13H,6-10,12H2,1-5H3
InChIKeyIPQHAQAIJRRWDW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.16
Rot. Bonds5

About ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 126627160) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID126627160
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nameethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N3CCC(C)(C)CC3)c(CC(=O)OC)c(C)cc2n1
InChIInChI=1S/C21H29N3O4/c1-6-28-20(26)16-13-24-17(22-16)11-14(2)15(12-18(25)27-5)19(24)23-9-7-21(3,4)8-10-23/h11,13H,6-10,12H2,1-5H3
InChIKeyIPQHAQAIJRRWDW-UHFFFAOYSA-N
XLogP3.16
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate 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

ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 118326393
2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid
CID 126627219
2-[5-(4,4-dimethylpiperidin-1-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123619835
methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate
CID 118642557
ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992766
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
CID 114047167
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764
ethyl 7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200619
ethyl 5-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1-methylpyrazole-3-carboxylate
CID 162444609
4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 161018045
ethyl 2-amino-5-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932234

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 126627160) is ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(N3CCC(C)(C)CC3)c(CC(=O)OC)c(C)cc2n1.
What is the InChIKey of ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is IPQHAQAIJRRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-6-28-20(26)16-13-24-17(22-16)11-14(2)15(12-18(25)27-5)19(24)23-9-7-21(3,4)8-10-23/h11,13H,6-10,12H2,1-5H3.
What are the key properties of ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 126627160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).