4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one

C18H12N2O2S — CID 66936566

IUPAC4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccncc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C18H12N2O2S/c21-16-14(12-4-2-1-3-5-12)17(22)20-18-15(16)13(10-23-18)11-6-8-19-9-7-11/h1-10H,(H2,20,21,22)
InChIKeyGKUGFALTXGJIHO-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.02
Rot. Bonds2

About 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 66936566) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID66936566
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccncc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C18H12N2O2S/c21-16-14(12-4-2-1-3-5-12)17(22)20-18-15(16)13(10-23-18)11-6-8-19-9-7-11/h1-10H,(H2,20,21,22)
InChIKeyGKUGFALTXGJIHO-UHFFFAOYSA-N
XLogP4.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 54707814
7-(4-Hydroxyphenyl)-2-Pyridin-4-Yl-5h-Thieno[3,2-C]pyridin-4-One
CID 53245731
2-[(3-pyridinylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 880938
4-(4-Chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 67203703
4-(4-Chlorophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 168274661
4-Benzyl-7-hydroxy-5-oxo-N-[(pyridin-4-YL)methyl]-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734574
1-amino-2-[hydroxy(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-4H-thieno[2,3-c]isoquinolin-5-one
CID 155541265
2-[3-[5-(2-Fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid
CID 16047821
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 24831201
4-(2,3-Difluoro-4-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 53379429
3-[4-(2-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 54747098
3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 54747099

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one (CID 66936566) is 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccncc3)c2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is GKUGFALTXGJIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-16-14(12-4-2-1-3-5-12)17(22)20-18-15(16)13(10-23-18)11-6-8-19-9-7-11/h1-10H,(H2,20,21,22).
What are the key properties of 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 320.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 66936566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).