ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate

C18H13FN4O2S — CID 132597923

IUPACethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2cccnc2c1-n1cc(-c2ccccc2F)nn1
InChIInChI=1S/C18H13FN4O2S/c1-2-25-18(24)17-16(15-14(26-17)8-5-9-20-15)23-10-13(21-22-23)11-6-3-4-7-12(11)19/h3-10H,2H2,1H3
InChIKeyLXPUCVUWXYGLFN-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.86
Rot. Bonds4

About ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate

ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 132597923) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate
PubChem CID132597923
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Nameethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2cccnc2c1-n1cc(-c2ccccc2F)nn1
InChIInChI=1S/C18H13FN4O2S/c1-2-25-18(24)17-16(15-14(26-17)8-5-9-20-15)23-10-13(21-22-23)11-6-3-4-7-12(11)19/h3-10H,2H2,1H3
InChIKeyLXPUCVUWXYGLFN-UHFFFAOYSA-N
XLogP3.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate with MolForge

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Related Compounds

Methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate
CID 50908123
Methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908356
Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994347
Methyl 3-amino-6-[2-(3-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031930
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate
CID 13793447
Methyl 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1480204
Methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1486478
Methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905128
Methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908357
Methyl 3-amino-6-[2-(2-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994346
Cyclohexyl 2-thiophen-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137639094
Methyl 3-amino-6-(4-cyanophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905123

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate (CID 132597923) is ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1sc2cccnc2c1-n1cc(-c2ccccc2F)nn1.
What is the InChIKey of ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is LXPUCVUWXYGLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c1-2-25-18(24)17-16(15-14(26-17)8-5-9-20-15)23-10-13(21-22-23)11-6-3-4-7-12(11)19/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate?
ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 132597923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).