7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid

C20H14N2O3S — CID 46885943

IUPAC7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2ccsc2c1=O
InChIInChI=1S/C20H14N2O3S/c23-18-16(20(24)25)12-22(17-7-9-26-19(17)18)11-13-3-5-14(6-4-13)15-2-1-8-21-10-15/h1-10,12H,11H2,(H,24,25)
InChIKeyNUTZYNZCZPEGHK-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.87
Rot. Bonds4

About 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid

7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 46885943) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID46885943
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2ccsc2c1=O
InChIInChI=1S/C20H14N2O3S/c23-18-16(20(24)25)12-22(17-7-9-26-19(17)18)11-13-3-5-14(6-4-13)15-2-1-8-21-10-15/h1-10,12H,11H2,(H,24,25)
InChIKeyNUTZYNZCZPEGHK-UHFFFAOYSA-N
XLogP3.87
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid (CID 46885943) is 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2ccsc2c1=O.
What is the InChIKey of 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is NUTZYNZCZPEGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-18-16(20(24)25)12-22(17-7-9-26-19(17)18)11-13-3-5-14(6-4-13)15-2-1-8-21-10-15/h1-10,12H,11H2,(H,24,25).
What are the key properties of 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-[(4-pyridin-3-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 46885943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).