ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate

C24H20FN3O4S — CID 58832874

IUPACethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1cnc(N)c2c(COc3cccc(NC(=O)c4ccc(F)cc4)c3)csc12
InChIInChI=1S/C24H20FN3O4S/c1-2-31-24(30)19-11-27-22(26)20-15(13-33-21(19)20)12-32-18-5-3-4-17(10-18)28-23(29)14-6-8-16(25)9-7-14/h3-11,13H,2,12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyLPYZXLVRCISCPX-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.03
Rot. Bonds7

About ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate

ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate (PubChem CID 58832874) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
PubChem CID58832874
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Nameethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1cnc(N)c2c(COc3cccc(NC(=O)c4ccc(F)cc4)c3)csc12
InChIInChI=1S/C24H20FN3O4S/c1-2-31-24(30)19-11-27-22(26)20-15(13-33-21(19)20)12-32-18-5-3-4-17(10-18)28-23(29)14-6-8-16(25)9-7-14/h3-11,13H,2,12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyLPYZXLVRCISCPX-UHFFFAOYSA-N
XLogP5.03
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-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 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate (CID 58832874) is ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate is CCOC(=O)c1cnc(N)c2c(COc3cccc(NC(=O)c4ccc(F)cc4)c3)csc12.
What is the InChIKey of ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate?
The InChIKey is LPYZXLVRCISCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-2-31-24(30)19-11-27-22(26)20-15(13-33-21(19)20)12-32-18-5-3-4-17(10-18)28-23(29)14-6-8-16(25)9-7-14/h3-11,13H,2,12H2,1H3,(H2,26,27)(H,28,29).
What are the key properties of ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate?
ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 58832874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).