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

C20H14Cl2F2N2O2S — CID 129227684

IUPAC3-(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
SMILESO=C(Cn1ccc2scc(-c3ccc(Cl)c(Cl)c3)c2c1=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C20H14Cl2F2N2O2S/c21-14-2-1-10(5-15(14)22)11-9-29-16-3-4-25(19(28)18(11)16)8-17(27)26-6-12-13(7-26)20(12,23)24/h1-5,9,12-13H,6-8H2
InChIKeyRDWLLFXLHOZOSQ-UHFFFAOYSA-N
MW455.31 g/mol
LogP4.76
Rot. Bonds3

About 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

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 (PubChem CID 129227684) has the molecular formula C20H14Cl2F2N2O2S and a molecular weight of 455.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID129227684
Molecular FormulaC20H14Cl2F2N2O2S
Molecular Weight455.31 g/mol
Exact Mass454.01
IUPAC Name3-(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
SMILESO=C(Cn1ccc2scc(-c3ccc(Cl)c(Cl)c3)c2c1=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C20H14Cl2F2N2O2S/c21-14-2-1-10(5-15(14)22)11-9-29-16-3-4-25(19(28)18(11)16)8-17(27)26-6-12-13(7-26)20(12,23)24/h1-5,9,12-13H,6-8H2
InChIKeyRDWLLFXLHOZOSQ-UHFFFAOYSA-N
XLogP4.76
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227151
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-(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
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-chloro-4-fluorophenyl)-5-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 129227436
8-(3,4-dichlorophenyl)-2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]isoquinolin-1-one
CID 129227777
1-cyclopropyl-3-(3,4-dichlorophenyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]pyrrolo[3,2-c]pyridin-4-one
CID 129227516
5-[4-chloro-3-(fluoromethyl)phenyl]-3-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 129236081
5-(3-chloro-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 137360204
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[2-(3,3-difluorocyclobutyl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 167319496
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)-7-pyridin-4-ylthieno[3,2-c]pyridin-4-one
CID 129227433

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cn1ccc2scc(-c3ccc(Cl)c(Cl)c3)c2c1=O)N1CC2C(C1)C2(F)F.
What is the InChIKey of 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?
The InChIKey is RDWLLFXLHOZOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N2O2S/c21-14-2-1-10(5-15(14)22)11-9-29-16-3-4-25(19(28)18(11)16)8-17(27)26-6-12-13(7-26)20(12,23)24/h1-5,9,12-13H,6-8H2.
What are the key properties of 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?
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 has a molecular weight of 455.31 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129227684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).