3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one

C18H13ClF2N2O2S — CID 129227151

IUPAC3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2scc(-c3ccc(F)c(Cl)c3)c2c1=O)N1CC(F)C1
InChIInChI=1S/C18H13ClF2N2O2S/c19-13-5-10(1-2-14(13)21)12-9-26-15-3-4-22(18(25)17(12)15)8-16(24)23-6-11(20)7-23/h1-5,9,11H,6-8H2
InChIKeyUZPKPLRTSFSTLS-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.70
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one

3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 129227151) has the molecular formula C18H13ClF2N2O2S and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
PubChem CID129227151
Molecular FormulaC18H13ClF2N2O2S
Molecular Weight394.83 g/mol
Exact Mass394.04
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2scc(-c3ccc(F)c(Cl)c3)c2c1=O)N1CC(F)C1
InChIInChI=1S/C18H13ClF2N2O2S/c19-13-5-10(1-2-14(13)21)12-9-26-15-3-4-22(18(25)17(12)15)8-16(24)23-6-11(20)7-23/h1-5,9,11H,6-8H2
InChIKeyUZPKPLRTSFSTLS-UHFFFAOYSA-N
XLogP3.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227736
3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227424
3-(4-fluoro-3-methylphenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 154954704
3-(3,4-dichlorophenyl)-5-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227684
5-(3-chloro-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 137360204
2-[[3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-4-oxopyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsulfanium
CID 163534123
3-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 129227436
3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227694
8-(3,4-dichlorophenyl)-2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]isoquinolin-1-one
CID 129227777
7-(azetidin-1-yl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-4-one
CID 129227716
5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-(2-hydroxypropan-2-yl)thieno[3,2-c]pyridin-4-one
CID 129219870
5-(3-chloro-4-fluorophenyl)-3-(2-cyclopentyl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 147986003

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one (CID 129227151) is 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one is O=C(Cn1ccc2scc(-c3ccc(F)c(Cl)c3)c2c1=O)N1CC(F)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is UZPKPLRTSFSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2S/c19-13-5-10(1-2-14(13)21)12-9-26-15-3-4-22(18(25)17(12)15)8-16(24)23-6-11(20)7-23/h1-5,9,11H,6-8H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 394.83 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 129227151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).