diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate

C30H27F2NO4 — CID 138975612

IUPACdiethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=C(c2ccc(F)cc2)N(C)C1(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C30H27F2NO4/c1-4-36-28(34)25-19-26(29(35)37-5-2)30(21-9-7-6-8-10-21,22-13-17-24(32)18-14-22)33(3)27(25)20-11-15-23(31)16-12-20/h6-19H,4-5H2,1-3H3
InChIKeyHYSNDXKGVRKOSX-UHFFFAOYSA-N
MW503.55 g/mol
LogP5.62
Rot. Bonds7

About diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate

diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate (PubChem CID 138975612) has the molecular formula C30H27F2NO4 and a molecular weight of 503.55 g/mol. Its IUPAC name is diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate
PubChem CID138975612
Molecular FormulaC30H27F2NO4
Molecular Weight503.55 g/mol
Exact Mass503.19
IUPAC Namediethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=C(c2ccc(F)cc2)N(C)C1(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C30H27F2NO4/c1-4-36-28(34)25-19-26(29(35)37-5-2)30(21-9-7-6-8-10-21,22-13-17-24(32)18-14-22)33(3)27(25)20-11-15-23(31)16-12-20/h6-19H,4-5H2,1-3H3
InChIKeyHYSNDXKGVRKOSX-UHFFFAOYSA-N
XLogP5.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate 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

ethyl 2-ethyl-6-[(3-fluorophenyl)methyl]-1,1-dioxo-3-(2-phenylethyl)-3H-1,2,6-thiadiazine-4-carboxylate
CID 42628016
diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1015745
diethyl (2R)-2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate
CID 138978054
ethyl (2R)-1-benzhydryl-2-(4-fluorophenyl)-5-methyl-2H-pyridine-3-carboxylate
CID 139039432
methyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 15271867
Diethyl 1-(4-fluorobenzyl)-4-(2-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1531869
3,5-Diethyl 4-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 4639511
3-O-(2,2-dimethylpropyl) 5-O-methyl 4-[benzyl(methyl)amino]-4-(2-fluorophenyl)-1,2,6-trimethylpyridine-3,5-dicarboxylate
CID 20242776
5-O-[3-[(4-fluorophenyl)methyl-methylamino]-2,2-dimethylpropyl] 3-O-methyl 4-(3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 20242788
5-O-ethyl 3-O-methyl 2,4-bis(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 22005173
Methyl 2,4-bis(4-fluorophenyl)-5-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate
CID 54059693
Methyl (3,5-difluorophenyl)[1-(diphenylmethyl)azetidin-3-ylidene]acetate
CID 57559921

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate (CID 138975612) is diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate is CCOC(=O)C1=CC(C(=O)OCC)=C(c2ccc(F)cc2)N(C)C1(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate?
The InChIKey is HYSNDXKGVRKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2NO4/c1-4-36-28(34)25-19-26(29(35)37-5-2)30(21-9-7-6-8-10-21,22-13-17-24(32)18-14-22)33(3)27(25)20-11-15-23(31)16-12-20/h6-19H,4-5H2,1-3H3.
What are the key properties of diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate?
diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate has a molecular weight of 503.55 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 138975612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).