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

C24H15FN2O2S — CID 54747099

IUPAC3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(-c4cccc(F)c4)cc3)c2c(O)c1-c1cccnc1
InChIInChI=1S/C24H15FN2O2S/c25-18-5-1-3-16(11-18)14-6-8-15(9-7-14)19-13-30-24-21(19)22(28)20(23(29)27-24)17-4-2-10-26-12-17/h1-13H,(H2,27,28,29)
InChIKeyDPMPJJRQUVLLNX-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.83
Rot. Bonds3

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

3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747099) has the molecular formula C24H15FN2O2S and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747099
Molecular FormulaC24H15FN2O2S
Molecular Weight414.46 g/mol
Exact Mass414.08
IUPAC Name3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(-c4cccc(F)c4)cc3)c2c(O)c1-c1cccnc1
InChIInChI=1S/C24H15FN2O2S/c25-18-5-1-3-16(11-18)14-6-8-15(9-7-14)19-13-30-24-21(19)22(28)20(23(29)27-24)17-4-2-10-26-12-17/h1-13H,(H2,27,28,29)
InChIKeyDPMPJJRQUVLLNX-UHFFFAOYSA-N
XLogP5.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (CID 54747099) is 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccc(-c4cccc(F)c4)cc3)c2c(O)c1-c1cccnc1.
What is the InChIKey of 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is DPMPJJRQUVLLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O2S/c25-18-5-1-3-16(11-18)14-6-8-15(9-7-14)19-13-30-24-21(19)22(28)20(23(29)27-24)17-4-2-10-26-12-17/h1-13H,(H2,27,28,29).
What are the key properties of 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 414.46 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)phenyl]-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).