ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate

C16H14F3N3O3S — CID 140869572

IUPACethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(C(F)(F)F)s3)cc21
InChIInChI=1S/C16H14F3N3O3S/c1-3-25-13(23)8-22-10-6-9(7-20-14(10)21(2)15(22)24)11-4-5-12(26-11)16(17,18)19/h4-7H,3,8H2,1-2H3
InChIKeyADLCYYWPOGKUOF-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate

ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate (PubChem CID 140869572) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
PubChem CID140869572
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Nameethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(C(F)(F)F)s3)cc21
InChIInChI=1S/C16H14F3N3O3S/c1-3-25-13(23)8-22-10-6-9(7-20-14(10)21(2)15(22)24)11-4-5-12(26-11)16(17,18)19/h4-7H,3,8H2,1-2H3
InChIKeyADLCYYWPOGKUOF-UHFFFAOYSA-N
XLogP3.05
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate with MolForge

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Related Compounds

N,N-dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493680
N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493655
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
CID 134493948
N,N-dimethyl-2-[3-methyl-6-(5-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489939
3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one
CID 162607643
1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493841
ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
CID 134494024
3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493721
2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 134490126
6-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-one
CID 134490165
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate (CID 140869572) is ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate is CCOC(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(C(F)(F)F)s3)cc21.
What is the InChIKey of ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate?
The InChIKey is ADLCYYWPOGKUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-3-25-13(23)8-22-10-6-9(7-20-14(10)21(2)15(22)24)11-4-5-12(26-11)16(17,18)19/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate?
ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate has a molecular weight of 385.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate is sourced from PubChem (CID 140869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).