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

C22H18F3NO3S — CID 163216586

IUPAC7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C22H18F3NO3S/c1-28-19-10-13(15-11-20(27)26-17-8-9-30-21(15)17)6-7-18(19)29-12-14-4-2-3-5-16(14)22(23,24)25/h2-10,15H,11-12H2,1H3,(H,26,27)
InChIKeyQEEYFYRLRINARM-UHFFFAOYSA-N
MW433.45 g/mol
LogP5.83
Rot. Bonds5

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

7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 163216586) has the molecular formula C22H18F3NO3S and a molecular weight of 433.45 g/mol. Its IUPAC name is 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID163216586
Molecular FormulaC22H18F3NO3S
Molecular Weight433.45 g/mol
Exact Mass433.10
IUPAC Name7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C22H18F3NO3S/c1-28-19-10-13(15-11-20(27)26-17-8-9-30-21(15)17)6-7-18(19)29-12-14-4-2-3-5-16(14)22(23,24)25/h2-10,15H,11-12H2,1H3,(H,26,27)
InChIKeyQEEYFYRLRINARM-UHFFFAOYSA-N
XLogP5.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-3-yl]cyclohexanecarboxamide
CID 118714181
3-(2-Methoxyphenyl)-7-[4-(prop-2-EN-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-B]pyridin-5-one
CID 22587153
7-{4-[(2-Chlorophenyl)methoxy]-3-methoxyphenyl}-4,6,7-trihydrothiopheno[3,2-b] pyridin-5-one
CID 16763235
(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556223
(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556471
(7R)-7-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556483
(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556489
(7R)-7-[4-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558410
(7R)-7-[2-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558842
(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42578345
(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42583116
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42583205

Frequently Asked Questions

What is the IUPAC name of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 163216586) is 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cc(C2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is QEEYFYRLRINARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3S/c1-28-19-10-13(15-11-20(27)26-17-8-9-30-21(15)17)6-7-18(19)29-12-14-4-2-3-5-16(14)22(23,24)25/h2-10,15H,11-12H2,1H3,(H,26,27).
What are the key properties of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 433.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 163216586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).