1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C26H17Cl2F3N2O3S — CID 11685534

IUPAC1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(Cl)cc3Cl)s2)cc1OC
InChIInChI=1S/C26H17Cl2F3N2O3S/c1-35-21-6-4-14(9-22(21)36-2)23-7-8-24(37-23)20-11-18(26(29,30)31)17(12-32)25(34)33(20)13-15-3-5-16(27)10-19(15)28/h3-11H,13H2,1-2H3
InChIKeySSBSFYUVAHVNIM-UHFFFAOYSA-N
MW565.40 g/mol
LogP7.51
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11685534) has the molecular formula C26H17Cl2F3N2O3S and a molecular weight of 565.40 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11685534
Molecular FormulaC26H17Cl2F3N2O3S
Molecular Weight565.40 g/mol
Exact Mass564.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(Cl)cc3Cl)s2)cc1OC
InChIInChI=1S/C26H17Cl2F3N2O3S/c1-35-21-6-4-14(9-22(21)36-2)23-7-8-24(37-23)20-11-18(26(29,30)31)17(12-32)25(34)33(20)13-15-3-5-16(27)10-19(15)28/h3-11H,13H2,1-2H3
InChIKeySSBSFYUVAHVNIM-UHFFFAOYSA-N
XLogP7.51
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.40
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile 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

6-(5-bromothiophen-2-yl)-1-[(2,4-dichlorophenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11720371
6-[5-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]thiophen-2-yl]-1-[(2,4-difluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726496
1-[(2,4-difluorophenyl)methyl]-6-[4-(3,4-dimethoxyphenyl)phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726828
1-[(2-chlorophenyl)methyl]-6-[5-(4-methylsulfonylphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726567
1-[(2,4-difluorophenyl)methyl]-6-[5-[3-fluoro-4-(trifluoromethyl)phenyl]thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726836
2-[2-chloro-4-[5-[5-cyano-1-[(2,4-difluorophenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thiophen-2-yl]phenoxy]acetic acid
CID 59726514
ethyl 2-[2-chloro-4-[5-[5-cyano-1-[(2,4-difluorophenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thiophen-2-yl]phenoxy]acetate
CID 59726834
6-[5-[3-chloro-4-(difluoroamino)phenyl]thiophen-2-yl]-1-[(2,4-difluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 143213601
1-[(2,4-difluorophenyl)methyl]-6-[4-[4-methoxy-3-(trifluoromethyl)phenyl]thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726336
6-(4-chlorophenyl)-1-[(2,4-dimethylphenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10287813
1-[(2,4-difluorophenyl)methyl]-6-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726601
1-[(2,4-difluorophenyl)methyl]-6-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726609

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11685534) is 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is COc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(Cl)cc3Cl)s2)cc1OC.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SSBSFYUVAHVNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2F3N2O3S/c1-35-21-6-4-14(9-22(21)36-2)23-7-8-24(37-23)20-11-18(26(29,30)31)17(12-32)25(34)33(20)13-15-3-5-16(27)10-19(15)28/h3-11H,13H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 565.40 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-6-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11685534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).