6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C20H14N2O4S — CID 138513008

IUPAC6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2ccc(-c3ccccc3)nc2)c2ccsc12
InChIInChI=1S/C20H14N2O4S/c23-17-16(20(25)26)18-15(8-9-27-18)22(19(17)24)11-12-6-7-14(21-10-12)13-4-2-1-3-5-13/h1-10,23H,11H2,(H,25,26)
InChIKeyYPDRCWXFWGRZAL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.58
Rot. Bonds4

About 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138513008) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138513008
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2ccc(-c3ccccc3)nc2)c2ccsc12
InChIInChI=1S/C20H14N2O4S/c23-17-16(20(25)26)18-15(8-9-27-18)22(19(17)24)11-12-6-7-14(21-10-12)13-4-2-1-3-5-13/h1-10,23H,11H2,(H,25,26)
InChIKeyYPDRCWXFWGRZAL-UHFFFAOYSA-N
XLogP3.58
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138513008) is 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2ccc(-c3ccccc3)nc2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is YPDRCWXFWGRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-17-16(20(25)26)18-15(8-9-27-18)22(19(17)24)11-12-6-7-14(21-10-12)13-4-2-1-3-5-13/h1-10,23H,11H2,(H,25,26).
What are the key properties of 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138513008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).