[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C17H21N3O5S — CID 55385830

IUPAC[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1cn2ccc(C)cc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N3O5S/c1-3-20(13-5-7-26(23,24)11-13)16(21)10-25-17(22)14-9-19-6-4-12(2)8-15(19)18-14/h4,6,8-9,13H,3,5,7,10-11H2,1-2H3
InChIKeyQLZZTRJJZYWICF-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.84
Rot. Bonds5

About [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 55385830) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID55385830
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1cn2ccc(C)cc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N3O5S/c1-3-20(13-5-7-26(23,24)11-13)16(21)10-25-17(22)14-9-19-6-4-12(2)8-15(19)18-14/h4,6,8-9,13H,3,5,7,10-11H2,1-2H3
InChIKeyQLZZTRJJZYWICF-UHFFFAOYSA-N
XLogP0.84
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-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

[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55386162
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55324995
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484860
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 3440800
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 55304653
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 24979818
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531529
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-chlorobenzoate
CID 55320016
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8724870
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518722
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841756
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 6599662

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 55385830) is [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is CCN(C(=O)COC(=O)c1cn2ccc(C)cc2n1)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QLZZTRJJZYWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-3-20(13-5-7-26(23,24)11-13)16(21)10-25-17(22)14-9-19-6-4-12(2)8-15(19)18-14/h4,6,8-9,13H,3,5,7,10-11H2,1-2H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 55385830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).