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

C21H17NO4S — CID 54705625

IUPAC4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCOCc1csc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12
InChIInChI=1S/C21H17NO4S/c1-25-11-14-12-27-21-18(14)19(23)17(20(24)22-21)13-6-5-9-16(10-13)26-15-7-3-2-4-8-15/h2-10,12H,11H2,1H3,(H2,22,23,24)
InChIKeyACKNMTGYIUUOPJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.90
Rot. Bonds5

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

4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54705625) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54705625
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCOCc1csc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12
InChIInChI=1S/C21H17NO4S/c1-25-11-14-12-27-21-18(14)19(23)17(20(24)22-21)13-6-5-9-16(10-13)26-15-7-3-2-4-8-15/h2-10,12H,11H2,1H3,(H2,22,23,24)
InChIKeyACKNMTGYIUUOPJ-UHFFFAOYSA-N
XLogP4.90
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one
CID 54715302
3-[4-(2,4-dimethoxyphenyl)phenyl]-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747112
4-hydroxy-3-phenyl-5-[3-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridin-6-one
CID 54747279
4-hydroxy-5-phenyl-3-pyridin-4-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936566
7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one
CID 54735575
3-[4-(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)phenyl]benzoic acid
CID 54747130
(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate
CID 174632078
4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 66936310
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
2-chloro-4-hydroxy-5-(3-methylsulfonylphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747277
4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one
CID 130399414

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 54705625) is 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is COCc1csc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12.
What is the InChIKey of 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is ACKNMTGYIUUOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-25-11-14-12-27-21-18(14)19(23)17(20(24)22-21)13-6-5-9-16(10-13)26-15-7-3-2-4-8-15/h2-10,12H,11H2,1H3,(H2,22,23,24).
What are the key properties of 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 379.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54705625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).