7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide

C14H7F3N2O3S — CID 54734435

IUPAC7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H7F3N2O3S/c15-6-3-5(4-7(16)10(6)17)18-13(21)9-11(20)12-8(1-2-23-12)19-14(9)22/h1-4H,(H,18,21)(H2,19,20,22)
InChIKeyRCRDJFHOJMJHLG-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.96
Rot. Bonds2

About 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide

7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734435) has the molecular formula C14H7F3N2O3S and a molecular weight of 340.28 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734435
Molecular FormulaC14H7F3N2O3S
Molecular Weight340.28 g/mol
Exact Mass340.01
IUPAC Name7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H7F3N2O3S/c15-6-3-5(4-7(16)10(6)17)18-13(21)9-11(20)12-8(1-2-23-12)19-14(9)22/h1-4H,(H,18,21)(H2,19,20,22)
InChIKeyRCRDJFHOJMJHLG-UHFFFAOYSA-N
XLogP2.96
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide 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 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734435) is 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is RCRDJFHOJMJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O3S/c15-6-3-5(4-7(16)10(6)17)18-13(21)9-11(20)12-8(1-2-23-12)19-14(9)22/h1-4H,(H,18,21)(H2,19,20,22).
What are the key properties of 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 340.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-(3,4,5-trifluorophenyl)-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).