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

C20H12F3NO2S — CID 54747279

IUPAC4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3NO2S/c21-20(22,23)13-8-4-7-12(9-13)15-17(25)16-14(11-5-2-1-3-6-11)10-27-19(16)24-18(15)26/h1-10H,(H2,24,25,26)
InChIKeyWHPIUMDFTYREPN-UHFFFAOYSA-N
MW387.38 g/mol
LogP5.65
Rot. Bonds2

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

4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747279) has the molecular formula C20H12F3NO2S and a molecular weight of 387.38 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747279
Molecular FormulaC20H12F3NO2S
Molecular Weight387.38 g/mol
Exact Mass387.05
IUPAC Name4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3NO2S/c21-20(22,23)13-8-4-7-12(9-13)15-17(25)16-14(11-5-2-1-3-6-11)10-27-19(16)24-18(15)26/h1-10H,(H2,24,25,26)
InChIKeyWHPIUMDFTYREPN-UHFFFAOYSA-N
XLogP5.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.38
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-Methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 747204
2-(4-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829695
2-(4-Fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylic acid
CID 1353686
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2063873
2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid
CID 709222
2-(2-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829698
4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 950131
3-butan-2-yl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54694605
2-[(2-Fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 1353136
2-[(4-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 722907
2-[(3-Methylbenzoyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid
CID 1037842
4-Hydroxy-5-phenyl-7H-thieno[2,3-b]
CID 54688796

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one (CID 54747279) is 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccccc3)c2c(O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is WHPIUMDFTYREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO2S/c21-20(22,23)13-8-4-7-12(9-13)15-17(25)16-14(11-5-2-1-3-6-11)10-27-19(16)24-18(15)26/h1-10H,(H2,24,25,26).
What are the key properties of 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 387.38 g/mol, XLogP of 5.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).