ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate

C17H14F2N2O2S — CID 143635942

IUPACethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2c(F)cncc2c1Nc1ccc(C)cc1F
InChIInChI=1S/C17H14F2N2O2S/c1-3-23-17(22)16-14(10-7-20-8-12(19)15(10)24-16)21-13-5-4-9(2)6-11(13)18/h4-8,21H,3H2,1-2H3
InChIKeyYCRBMXOYIKMDRA-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.80
Rot. Bonds4

About ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate

ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate (PubChem CID 143635942) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
PubChem CID143635942
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Nameethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2c(F)cncc2c1Nc1ccc(C)cc1F
InChIInChI=1S/C17H14F2N2O2S/c1-3-23-17(22)16-14(10-7-20-8-12(19)15(10)24-16)21-13-5-4-9(2)6-11(13)18/h4-8,21H,3H2,1-2H3
InChIKeyYCRBMXOYIKMDRA-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]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

ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)thieno[3,2-c]pyridine-2-carboxylic acid
CID 141208482
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
ethyl 3-(2-fluoro-4-methylanilino)-2-(3-hydroxypropoxycarbamoyl)furo[3,2-c]pyridine-7-carboxylate
CID 143636044
ethyl 3-(2-fluoro-4-methylanilino)-1-[(2-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686855
ethyl 3-(2-fluoro-4-methylanilino)-1-(2-phenylethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686748
ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476271
ethane;ethyl 3-(2-fluoro-4-methylanilino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686684
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
ethyl 1-[(3-cyanophenyl)methyl]-3-(2-fluoro-4-methylanilino)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686771

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate (CID 143635942) is ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1sc2c(F)cncc2c1Nc1ccc(C)cc1F.
What is the InChIKey of ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is YCRBMXOYIKMDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c1-3-23-17(22)16-14(10-7-20-8-12(19)15(10)24-16)21-13-5-4-9(2)6-11(13)18/h4-8,21H,3H2,1-2H3.
What are the key properties of ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate?
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate has a molecular weight of 348.37 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 143635942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).