ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate

C16H19N3O4S — CID 165178169

IUPACethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C(C)(C)C#N)cn2c1S(=O)(=O)CC
InChIInChI=1S/C16H19N3O4S/c1-5-23-15(20)13-14(24(21,22)6-2)19-9-11(16(3,4)10-17)7-8-12(19)18-13/h7-9H,5-6H2,1-4H3
InChIKeyNECQIYVXFXZCIN-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.11
Rot. Bonds5

About ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 165178169) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID165178169
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Nameethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C(C)(C)C#N)cn2c1S(=O)(=O)CC
InChIInChI=1S/C16H19N3O4S/c1-5-23-15(20)13-14(24(21,22)6-2)19-9-11(16(3,4)10-17)7-8-12(19)18-13/h7-9H,5-6H2,1-4H3
InChIKeyNECQIYVXFXZCIN-UHFFFAOYSA-N
XLogP2.11
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[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 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178177
ethyl 2-[[[6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 165178188
2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile
CID 167266161
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312
ethyl 5-ethylsulfonyl-6-[3-oxo-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]pyridine-3-carboxylate
CID 155685797
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate
CID 162739775
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 167637295
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate (CID 165178169) is ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(C(C)(C)C#N)cn2c1S(=O)(=O)CC.
What is the InChIKey of ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is NECQIYVXFXZCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-5-23-15(20)13-14(24(21,22)6-2)19-9-11(16(3,4)10-17)7-8-12(19)18-13/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 165178169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).