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

C23H16F3N5O4 — CID 118069727

IUPAC3,5-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
SMILESN#Cc1nn(-c2ccc(N3CCOC3=O)cc2)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O
InChIInChI=1S/C23H16F3N5O4/c24-23(25,26)17-3-1-2-16-15(17)8-9-19(16)30-20(32)18(12-27)28-31(21(30)33)14-6-4-13(5-7-14)29-10-11-35-22(29)34/h1-7,19H,8-11H2/t19-/m1/s1
InChIKeyKPJDDRFJCYTORA-LJQANCHMSA-N
MW483.41 g/mol
LogP2.78
Rot. Bonds3

About 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

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 (PubChem CID 118069727) has the molecular formula C23H16F3N5O4 and a molecular weight of 483.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID118069727
Molecular FormulaC23H16F3N5O4
Molecular Weight483.41 g/mol
Exact Mass483.12
IUPAC Name3,5-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
SMILESN#Cc1nn(-c2ccc(N3CCOC3=O)cc2)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O
InChIInChI=1S/C23H16F3N5O4/c24-23(25,26)17-3-1-2-16-15(17)8-9-19(16)30-20(32)18(12-27)28-31(21(30)33)14-6-4-13(5-7-14)29-10-11-35-22(29)34/h1-7,19H,8-11H2/t19-/m1/s1
InChIKeyKPJDDRFJCYTORA-LJQANCHMSA-N
XLogP2.78
TPSA110.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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

2,4-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
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
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
2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-3,5-dioxo-4-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazine-6-carboxylic acid
CID 118069654
1-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2,4-dioxo-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carbonitrile
CID 118070241
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrimidine-5-carbonitrile
CID 118064614
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
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
ethyl 1-[3-chloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,3-diazinane-5-carboxylate
CID 138752994
5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione
CID 123351776
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1nn(-c2ccc(N3CCOC3=O)cc2)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O.
What is the InChIKey of 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?
The InChIKey is KPJDDRFJCYTORA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H16F3N5O4/c24-23(25,26)17-3-1-2-16-15(17)8-9-19(16)30-20(32)18(12-27)28-31(21(30)33)14-6-4-13(5-7-14)29-10-11-35-22(29)34/h1-7,19H,8-11H2/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 483.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118069727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).