4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one

C21H17NO3S — CID 54747265

IUPAC4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCOc1ccc(-c2c(O)c3c(-c4ccccc4)c(C)sc3[nH]c2=O)cc1
InChIInChI=1S/C21H17NO3S/c1-12-16(13-6-4-3-5-7-13)18-19(23)17(20(24)22-21(18)26-12)14-8-10-15(25-2)11-9-14/h3-11H,1-2H3,(H2,22,23,24)
InChIKeyIGFPDJGKWITIPM-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.95
Rot. Bonds3

About 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747265) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747265
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCOc1ccc(-c2c(O)c3c(-c4ccccc4)c(C)sc3[nH]c2=O)cc1
InChIInChI=1S/C21H17NO3S/c1-12-16(13-6-4-3-5-7-13)18-19(23)17(20(24)22-21(18)26-12)14-8-10-15(25-2)11-9-14/h3-11H,1-2H3,(H2,22,23,24)
InChIKeyIGFPDJGKWITIPM-UHFFFAOYSA-N
XLogP4.95
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936652
4-hydroxy-6-oxo-3,5-diphenyl-7H-thieno[2,3-b]pyridine-2-carboxamide
CID 66936094
2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54702832
2-chloro-3-(4-fluoro-2-hydroxyphenyl)-4-hydroxy-5-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 54747242
2-chloro-5-(4-chlorophenyl)-4-hydroxy-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936730
3-[4-(2,4-dimethoxyphenyl)phenyl]-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747112
2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936459
2-chloro-4-hydroxy-3-phenyl-5-thiophen-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936731
4-(2-chloro-4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)-N-methylbenzamide
CID 54747271
2-chloro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747241
4-hydroxy-3-(5-methoxy-2-phenylmethoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936591
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
CID 10308352

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54747265) is 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one is COc1ccc(-c2c(O)c3c(-c4ccccc4)c(C)sc3[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is IGFPDJGKWITIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-12-16(13-6-4-3-5-7-13)18-19(23)17(20(24)22-21(18)26-12)14-8-10-15(25-2)11-9-14/h3-11H,1-2H3,(H2,22,23,24).
What are the key properties of 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 363.44 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).