1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one

C29H23F3N2O — CID 152572101

IUPAC1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(Cn2c(-c3cccc(-c4ccc5[nH]ccc5c4)c3)cc(C(F)(F)F)cc2=O)c(C)c1
InChIInChI=1S/C29H23F3N2O/c1-18-6-7-24(19(2)12-18)17-34-27(15-25(16-28(34)35)29(30,31)32)23-5-3-4-20(14-23)21-8-9-26-22(13-21)10-11-33-26/h3-16,33H,17H2,1-2H3
InChIKeyYRRTXQMZZPXLRU-UHFFFAOYSA-N
MW472.51 g/mol
LogP7.35
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one

1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 152572101) has the molecular formula C29H23F3N2O and a molecular weight of 472.51 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID152572101
Molecular FormulaC29H23F3N2O
Molecular Weight472.51 g/mol
Exact Mass472.18
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(Cn2c(-c3cccc(-c4ccc5[nH]ccc5c4)c3)cc(C(F)(F)F)cc2=O)c(C)c1
InChIInChI=1S/C29H23F3N2O/c1-18-6-7-24(19(2)12-18)17-34-27(15-25(16-28(34)35)29(30,31)32)23-5-3-4-20(14-23)21-8-9-26-22(13-21)10-11-33-26/h3-16,33H,17H2,1-2H3
InChIKeyYRRTXQMZZPXLRU-UHFFFAOYSA-N
XLogP7.35
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-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

2-[(2,4-dimethylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 66882876
1-[(2,4-dimethylphenyl)methyl]-6-[4-(1H-indol-5-yloxy)phenyl]-3-isocyano-4-(trifluoromethyl)pyridin-2-one
CID 59099001
6-[3-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-indole-2-carboxylic acid
CID 69233960
1-[(2,4-dimethylphenyl)methyl]-6-[3-[2-[ethoxy(hydroxy)methyl]-1H-indol-6-yl]phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 143195317
1-[(2,4-dimethylphenyl)methyl]-3-isocyano-6-(3-methylphenyl)-4-(trifluoromethyl)pyridin-2-one
CID 59099316
1-[(2,4-dimethylphenyl)methyl]-6-[3-(2-formyl-1H-indol-5-yl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 89274752
4-[chloro(difluoro)methyl]-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 10126935
6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one
CID 161113936
4-[3-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethylbenzamide
CID 59726677
1-[(2,4-dimethylphenyl)methyl]-6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340602
ethyl 6-[3-[1-[(2,4-dimethylphenyl)methyl]-5-isocyano-4-methyl-6-oxo-2-pyridinyl]phenyl]-1H-indole-2-carboxylate
CID 59726646
3-amino-1-[(2,4-dimethylphenyl)methyl]-6-[3-methyl-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-(trifluoromethyl)pyridin-2-one
CID 88911464

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one (CID 152572101) is 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one is Cc1ccc(Cn2c(-c3cccc(-c4ccc5[nH]ccc5c4)c3)cc(C(F)(F)F)cc2=O)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is YRRTXQMZZPXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N2O/c1-18-6-7-24(19(2)12-18)17-34-27(15-25(16-28(34)35)29(30,31)32)23-5-3-4-20(14-23)21-8-9-26-22(13-21)10-11-33-26/h3-16,33H,17H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one?
1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 472.51 g/mol, XLogP of 7.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 152572101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).