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

C22H14N2O3S — CID 54747107

IUPAC3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(-c4ccoc4)cc3)c2c(O)c1-c1cccnc1
InChIInChI=1S/C22H14N2O3S/c25-20-18(15-2-1-8-23-10-15)21(26)24-22-19(20)17(12-28-22)14-5-3-13(4-6-14)16-7-9-27-11-16/h1-12H,(H2,24,25,26)
InChIKeyYWZXPBPGLOHPKN-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.28
Rot. Bonds3

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

3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747107) has the molecular formula C22H14N2O3S and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747107
Molecular FormulaC22H14N2O3S
Molecular Weight386.43 g/mol
Exact Mass386.07
IUPAC Name3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(-c4ccoc4)cc3)c2c(O)c1-c1cccnc1
InChIInChI=1S/C22H14N2O3S/c25-20-18(15-2-1-8-23-10-15)21(26)24-22-19(20)17(12-28-22)14-5-3-13(4-6-14)16-7-9-27-11-16/h1-12H,(H2,24,25,26)
InChIKeyYWZXPBPGLOHPKN-UHFFFAOYSA-N
XLogP5.28
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (CID 54747107) is 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccc(-c4ccoc4)cc3)c2c(O)c1-c1cccnc1.
What is the InChIKey of 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is YWZXPBPGLOHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3S/c25-20-18(15-2-1-8-23-10-15)21(26)24-22-19(20)17(12-28-22)14-5-3-13(4-6-14)16-7-9-27-11-16/h1-12H,(H2,24,25,26).
What are the key properties of 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 386.43 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).