7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one

C24H18F2N2O2S — CID 155760446

IUPAC7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILES[C-]#[N+]C(C)(C)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3ccsc23)c1
InChIInChI=1S/C24H18F2N2O2S/c1-24(2,27-3)14-5-7-20(30-21-8-6-15(25)12-19(21)26)17(11-14)18-13-28(4)23(29)16-9-10-31-22(16)18/h5-13H,1-2,4H3
InChIKeyAHSDRBIJSWQMCU-UHFFFAOYSA-N
MW436.48 g/mol
LogP6.49
Rot. Bonds4

About 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one

7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 155760446) has the molecular formula C24H18F2N2O2S and a molecular weight of 436.48 g/mol. Its IUPAC name is 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID155760446
Molecular FormulaC24H18F2N2O2S
Molecular Weight436.48 g/mol
Exact Mass436.11
IUPAC Name7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILES[C-]#[N+]C(C)(C)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3ccsc23)c1
InChIInChI=1S/C24H18F2N2O2S/c1-24(2,27-3)14-5-7-20(30-21-8-6-15(25)12-19(21)26)17(11-14)18-13-28(4)23(29)16-9-10-31-22(16)18/h5-13H,1-2,4H3
InChIKeyAHSDRBIJSWQMCU-UHFFFAOYSA-N
XLogP6.49
TPSA35.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155457710
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfanylamino)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155572063
7-[2-[(3,5-difluoro-4-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155457566
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfanylamino)-3-pyridinyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155458390
7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-5-methyl-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 155457561
1-[3-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)-4-(2,4,6-trifluorophenoxy)phenyl]cyclopropane-1-carbonitrile
CID 155457870
7-[2-(4-fluoro-4-methylcyclohexyl)oxy-5-(2-hydroxypropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 170335434
4-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[2,3-c]pyridin-7-one
CID 155457407
4-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
CID 170335343
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one (CID 155760446) is 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one is [C-]#[N+]C(C)(C)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3ccsc23)c1.
What is the InChIKey of 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is AHSDRBIJSWQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2S/c1-24(2,27-3)14-5-7-20(30-21-8-6-15(25)12-19(21)26)17(11-14)18-13-28(4)23(29)16-9-10-31-22(16)18/h5-13H,1-2,4H3.
What are the key properties of 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 436.48 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 155760446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).