[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane

C49H47F7N4O2Si2 — CID 158232252

IUPAC[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
SMILES[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C25H25F3N2OSi.C24H22F4N2OSi/c1-17-7-10-19(11-8-17)20-12-14-23(30-16-20)24(27,28)25(29-3,31-32(4,5)6)21-13-9-18(2)15-22(21)26;1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26/h7-16H,1-2,4-6H3;6-15H,1,3-5H3/t25-;24-/m11/s1
InChIKeyGENDEBFDJIZNGE-ZCMGSZBPSA-N
MW913.10 g/mol
LogP14.27
Rot. Bonds12

About [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane

[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane (PubChem CID 158232252) has the molecular formula C49H47F7N4O2Si2 and a molecular weight of 913.10 g/mol. Its IUPAC name is [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
PubChem CID158232252
Molecular FormulaC49H47F7N4O2Si2
Molecular Weight913.10 g/mol
Exact Mass912.31
IUPAC Name[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
SMILES[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C25H25F3N2OSi.C24H22F4N2OSi/c1-17-7-10-19(11-8-17)20-12-14-23(30-16-20)24(27,28)25(29-3,31-32(4,5)6)21-13-9-18(2)15-22(21)26;1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26/h7-16H,1-2,4-6H3;6-15H,1,3-5H3/t25-;24-/m11/s1
InChIKeyGENDEBFDJIZNGE-ZCMGSZBPSA-N
XLogP14.27
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.10
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane 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

(2R,3S)-3-isoquinolin-1-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 139121135
[1-[(4-Pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
CID 15452124
4-(1-benzyl-4-hydroxypiperidin-4-yl)-2-(4-fluorophenyl)-3-(pyridin-4-yl)-1-triisopropylsilyl-1H-pyrrole
CID 21922808
2-[4-[Difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3,5-difluorophenyl]-5-pentylpyridine
CID 58383352
2-[4-[Difluoro-[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383552
2-(2,4-Difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile
CID 123512563
5-(4-Ethylcyclohexyl)-2-[4-[2-[2-[4-[5-(4-ethylcyclohexyl)-2-pyridinyl]-2-fluorophenyl]ethoxy]ethyl]-3-fluorophenyl]pyridine
CID 140976199
2-[3-Fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine
CID 140976261
2-[3-Fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 140976266
[4-[6-[2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]methanol
CID 146961314
[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
CID 149258918
[3,5-Bis[(2-pyridin-2-ylphenyl)-[[4-(trifluoromethyl)phenyl]methoxy]boranyl]phenyl]-(2-pyridin-2-ylphenyl)-[[4-(trifluoromethyl)phenyl]methoxy]borane
CID 150682576

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
The IUPAC name of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane (CID 158232252) is [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane.
What is the SMILES notation for [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
The canonical SMILES for [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane is [C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.
What is the InChIKey of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
The InChIKey is GENDEBFDJIZNGE-ZCMGSZBPSA-N. The full InChI is InChI=1S/C25H25F3N2OSi.C24H22F4N2OSi/c1-17-7-10-19(11-8-17)20-12-14-23(30-16-20)24(27,28)25(29-3,31-32(4,5)6)21-13-9-18(2)15-22(21)26;1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26/h7-16H,1-2,4-6H3;6-15H,1,3-5H3/t25-;24-/m11/s1.
What are the key properties of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane has a molecular weight of 913.10 g/mol, XLogP of 14.27, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane is sourced from PubChem (CID 158232252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).