ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate

C20H15FN2O2S2 — CID 1041817

IUPACethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C20H15FN2O2S2/c1-2-25-20(24)18-17(22)16-13(11-5-7-12(21)8-6-11)10-14(23-19(16)27-18)15-4-3-9-26-15/h3-10H,2,22H2,1H3
InChIKeyRFBFBXWLLIPBRT-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.59
Rot. Bonds4

About ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1041817) has the molecular formula C20H15FN2O2S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID1041817
Molecular FormulaC20H15FN2O2S2
Molecular Weight398.48 g/mol
Exact Mass398.06
IUPAC Nameethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C20H15FN2O2S2/c1-2-25-20(24)18-17(22)16-13(11-5-7-12(21)8-6-11)10-14(23-19(16)27-18)15-4-3-9-26-15/h3-10H,2,22H2,1H3
InChIKeyRFBFBXWLLIPBRT-UHFFFAOYSA-N
XLogP5.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate (CID 1041817) is ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is RFBFBXWLLIPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S2/c1-2-25-20(24)18-17(22)16-13(11-5-7-12(21)8-6-11)10-14(23-19(16)27-18)15-4-3-9-26-15/h3-10H,2,22H2,1H3.
What are the key properties of ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1041817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).