7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid

C18H13N3O3S — CID 46866503

IUPAC7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccsc2c1=O
InChIInChI=1S/C18H13N3O3S/c22-16-14(18(23)24)11-20(15-6-9-25-17(15)16)10-12-2-4-13(5-3-12)21-8-1-7-19-21/h1-9,11H,10H2,(H,23,24)
InChIKeyVTNZEILTURARBQ-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.00
Rot. Bonds4

About 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid

7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 46866503) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID46866503
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccsc2c1=O
InChIInChI=1S/C18H13N3O3S/c22-16-14(18(23)24)11-20(15-6-9-25-17(15)16)10-12-2-4-13(5-3-12)21-8-1-7-19-21/h1-9,11H,10H2,(H,23,24)
InChIKeyVTNZEILTURARBQ-UHFFFAOYSA-N
XLogP3.00
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid (CID 46866503) is 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccsc2c1=O.
What is the InChIKey of 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is VTNZEILTURARBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-16-14(18(23)24)11-20(15-6-9-25-17(15)16)10-12-2-4-13(5-3-12)21-8-1-7-19-21/h1-9,11H,10H2,(H,23,24).
What are the key properties of 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid?
7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 351.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 46866503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).