(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C20H16FNO2S — CID 42590882

IUPAC(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)c2sccc2N1
InChIInChI=1S/C20H16FNO2S/c21-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-19(23)22-18-8-9-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)/t17-/m0/s1
InChIKeyJKIYGHDOZIKPIV-KRWDZBQOSA-N
MW353.42 g/mol
LogP4.94
Rot. Bonds4

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

(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42590882) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42590882
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC Name(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)c2sccc2N1
InChIInChI=1S/C20H16FNO2S/c21-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-19(23)22-18-8-9-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)/t17-/m0/s1
InChIKeyJKIYGHDOZIKPIV-KRWDZBQOSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42590882) is (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)c2sccc2N1.
What is the InChIKey of (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is JKIYGHDOZIKPIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16FNO2S/c21-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-19(23)22-18-8-9-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 353.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42590882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).