(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate

C26H17NO4S — CID 174632078

IUPAC(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate
SMILESO=C(Oc1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H17NO4S/c28-23-21(18-9-5-2-6-10-18)24(29)27-25-22(23)20(15-32-25)31-26(30)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H,(H2,27,28,29)
InChIKeyJZHLRJLCUAYBCP-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.85
Rot. Bonds4

About (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate

(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate (PubChem CID 174632078) has the molecular formula C26H17NO4S and a molecular weight of 439.49 g/mol. Its IUPAC name is (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate.

Molecular Properties

Compound Name(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate
PubChem CID174632078
Molecular FormulaC26H17NO4S
Molecular Weight439.49 g/mol
Exact Mass439.09
IUPAC Name(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate
SMILESO=C(Oc1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H17NO4S/c28-23-21(18-9-5-2-6-10-18)24(29)27-25-22(23)20(15-32-25)31-26(30)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H,(H2,27,28,29)
InChIKeyJZHLRJLCUAYBCP-UHFFFAOYSA-N
XLogP5.85
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)phenyl]benzoic acid
CID 54747130
4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936566
4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 66936310
3-[4-(2,4-dimethoxyphenyl)phenyl]-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747112
4-(2-chloro-4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)-N-methylbenzamide
CID 54747271
4-hydroxy-6-oxo-3,5-diphenyl-7H-thieno[2,3-b]pyridine-2-carboxamide
CID 66936094
4-hydroxy-3-(5-methoxy-2-phenylmethoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936591
2-chloro-5-(4-chlorophenyl)-4-hydroxy-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936730
4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one
CID 54747279
4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747265
2-chloro-4-hydroxy-3-phenyl-5-thiophen-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936731
4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 54705625

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate?
The IUPAC name of (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate (CID 174632078) is (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate.
What is the SMILES notation for (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate?
The canonical SMILES for (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate is O=C(Oc1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate?
The InChIKey is JZHLRJLCUAYBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO4S/c28-23-21(18-9-5-2-6-10-18)24(29)27-25-22(23)20(15-32-25)31-26(30)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H,(H2,27,28,29).
What are the key properties of (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate?
(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate has a molecular weight of 439.49 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate is sourced from PubChem (CID 174632078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).