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

C23H18F3NO2S — CID 155457710

IUPAC7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(C(C)(C)F)ccc2Oc2ccc(F)cc2F)c2sccc2c1=O
InChIInChI=1S/C23H18F3NO2S/c1-23(2,26)13-4-6-19(29-20-7-5-14(24)11-18(20)25)16(10-13)17-12-27(3)22(28)15-8-9-30-21(15)17/h4-12H,1-3H3
InChIKeyCHIHSSLRLYEMJJ-UHFFFAOYSA-N
MW429.46 g/mol
LogP6.54
Rot. Bonds4

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

7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 155457710) has the molecular formula C23H18F3NO2S and a molecular weight of 429.46 g/mol. Its IUPAC name is 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID155457710
Molecular FormulaC23H18F3NO2S
Molecular Weight429.46 g/mol
Exact Mass429.10
IUPAC Name7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(C(C)(C)F)ccc2Oc2ccc(F)cc2F)c2sccc2c1=O
InChIInChI=1S/C23H18F3NO2S/c1-23(2,26)13-4-6-19(29-20-7-5-14(24)11-18(20)25)16(10-13)17-12-27(3)22(28)15-8-9-30-21(15)17/h4-12H,1-3H3
InChIKeyCHIHSSLRLYEMJJ-UHFFFAOYSA-N
XLogP6.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one with MolForge

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Related Compounds

7-[2-(2,4-difluorophenoxy)-5-(2-isocyanopropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155760446
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-(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
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfanylamino)-3-pyridinyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155458390
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
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 155457492
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one (CID 155457710) is 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one is Cn1cc(-c2cc(C(C)(C)F)ccc2Oc2ccc(F)cc2F)c2sccc2c1=O.
What is the InChIKey of 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is CHIHSSLRLYEMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2S/c1-23(2,26)13-4-6-19(29-20-7-5-14(24)11-18(20)25)16(10-13)17-12-27(3)22(28)15-8-9-30-21(15)17/h4-12H,1-3H3.
What are the key properties of 7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one?
7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 429.46 g/mol, XLogP of 6.54, 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-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 155457710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).