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

C21H18FNO3S — CID 50811402

IUPAC7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC
InChIInChI=1S/C21H18FNO3S/c1-25-17-8-7-12(9-18(17)26-2)14-10-19(24)23-20-15(11-27-21(14)20)13-5-3-4-6-16(13)22/h3-9,11,14H,10H2,1-2H3,(H,23,24)
InChIKeyOOTBZHRAVQXPHO-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.05
Rot. Bonds4

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

7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 50811402) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID50811402
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC
InChIInChI=1S/C21H18FNO3S/c1-25-17-8-7-12(9-18(17)26-2)14-10-19(24)23-20-15(11-27-21(14)20)13-5-3-4-6-16(13)22/h3-9,11,14H,10H2,1-2H3,(H,23,24)
InChIKeyOOTBZHRAVQXPHO-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

(7R)-3-(2-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086290
(7S)-3-(2-fluorophenyl)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086321
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
(7S)-7-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086353
(7R)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086356
(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086255
3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 22587155
(7S)-3-(3,4-dimethoxyphenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 26433683
4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
CID 94086361
(7R)-7-(4-ethoxy-3-methoxyphenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086408
(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086039
(7R)-3-(3-fluorophenyl)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086440

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 50811402) is 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc(C2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is OOTBZHRAVQXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-25-17-8-7-12(9-18(17)26-2)14-10-19(24)23-20-15(11-27-21(14)20)13-5-3-4-6-16(13)22/h3-9,11,14H,10H2,1-2H3,(H,23,24).
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 383.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 50811402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).