2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide

C25H18F6N4O7S — CID 118070251

IUPAC2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1cn(-c2ccc(N3CCOC3=O)cc2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
InChIInChI=1S/C25H18F6N4O7S/c26-24(27,28)18-3-1-2-16-15(18)8-9-19(16)35-21(37)17(20(36)32-43(40,41)25(29,30)31)12-34(22(35)38)14-6-4-13(5-7-14)33-10-11-42-23(33)39/h1-7,12,19H,8-11H2,(H,32,36)
InChIKeyGSWUYVCPFXMVEX-UHFFFAOYSA-N
MW632.50 g/mol
LogP3.09
Rot. Bonds5

About 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide

2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide (PubChem CID 118070251) has the molecular formula C25H18F6N4O7S and a molecular weight of 632.50 g/mol. Its IUPAC name is 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide
PubChem CID118070251
Molecular FormulaC25H18F6N4O7S
Molecular Weight632.50 g/mol
Exact Mass632.08
IUPAC Name2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1cn(-c2ccc(N3CCOC3=O)cc2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
InChIInChI=1S/C25H18F6N4O7S/c26-24(27,28)18-3-1-2-16-15(18)8-9-19(16)35-21(37)17(20(36)32-43(40,41)25(29,30)31)12-34(22(35)38)14-6-4-13(5-7-14)33-10-11-42-23(33)39/h1-7,12,19H,8-11H2,(H,32,36)
InChIKeyGSWUYVCPFXMVEX-UHFFFAOYSA-N
XLogP3.09
TPSA136.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide
CID 122483433
3,5-dioxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazine-6-carbonitrile
CID 118069727
2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
CID 155458162
1-(3-ethyl-1-methyl-2-oxobenzimidazol-5-yl)-2,4-dioxo-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
CID 123469100
1-[1-methyl-2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]-2,4-dioxo-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
CID 123505662
sodium 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylate
CID 157189457
1-(2,2-dihydroxy-1,3-dimethyl-2λ4,1,3-benzothiadiazol-5-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
CID 118091938
3-[(1R)-4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 122658744
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-hydroxy-2,4-dioxo-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboximidamide
CID 118070256
ethyl 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylate
CID 118091969
2,4-dioxo-1-[4-(3-oxomorpholin-4-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
CID 155458244
2,4-dioxo-1-[4-(3-oxomorpholin-4-yl)cyclohexyl]-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
CID 155458240

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide (CID 118070251) is 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide is O=C(NS(=O)(=O)C(F)(F)F)c1cn(-c2ccc(N3CCOC3=O)cc2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O.
What is the InChIKey of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide?
The InChIKey is GSWUYVCPFXMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N4O7S/c26-24(27,28)18-3-1-2-16-15(18)8-9-19(16)35-21(37)17(20(36)32-43(40,41)25(29,30)31)12-34(22(35)38)14-6-4-13(5-7-14)33-10-11-42-23(33)39/h1-7,12,19H,8-11H2,(H,32,36).
What are the key properties of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide?
2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide has a molecular weight of 632.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-N-(trifluoromethylsulfonyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 118070251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).