[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C19H19N3O3S — CID 55371087

IUPAC[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N3CCCC3c3cccs3)cn12
InChIInChI=1S/C19H19N3O3S/c1-13-5-2-8-17-20-14(11-22(13)17)19(24)25-12-18(23)21-9-3-6-15(21)16-7-4-10-26-16/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3
InChIKeyWTRUKZSKJXEFCF-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.22
Rot. Bonds4

About [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 55371087) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID55371087
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N3CCCC3c3cccs3)cn12
InChIInChI=1S/C19H19N3O3S/c1-13-5-2-8-17-20-14(11-22(13)17)19(24)25-12-18(23)21-9-3-6-15(21)16-7-4-10-26-16/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3
InChIKeyWTRUKZSKJXEFCF-UHFFFAOYSA-N
XLogP3.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3,5-dimethoxy-4-methylbenzoate
CID 55371431
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 4-(methoxymethyl)benzoate
CID 47007738
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 55562632
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
CID 31939256
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55371170
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate
CID 55371209
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(3-chlorophenoxy)propanoate
CID 55371148

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 55371087) is [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OCC(=O)N3CCCC3c3cccs3)cn12.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is WTRUKZSKJXEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-5-2-8-17-20-14(11-22(13)17)19(24)25-12-18(23)21-9-3-6-15(21)16-7-4-10-26-16/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3.
What are the key properties of [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 55371087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).