5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C24H35N3O6S — CID 102317214

IUPAC5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCC2CCCC2)C1c1cnc(S(C)(=O)=O)n1C
InChIInChI=1S/C24H35N3O6S/c1-6-32-22(28)19-15(2)26-16(3)20(23(29)33-13-9-12-17-10-7-8-11-17)21(19)18-14-25-24(27(18)4)34(5,30)31/h14,17,21,26H,6-13H2,1-5H3
InChIKeyWYIADKSYNUCKHK-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.14
Rot. Bonds9

About 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 102317214) has the molecular formula C24H35N3O6S and a molecular weight of 493.63 g/mol. Its IUPAC name is 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID102317214
Molecular FormulaC24H35N3O6S
Molecular Weight493.63 g/mol
Exact Mass493.22
IUPAC Name5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCC2CCCC2)C1c1cnc(S(C)(=O)=O)n1C
InChIInChI=1S/C24H35N3O6S/c1-6-32-22(28)19-15(2)26-16(3)20(23(29)33-13-9-12-17-10-7-8-11-17)21(19)18-14-25-24(27(18)4)34(5,30)31/h14,17,21,26H,6-13H2,1-5H3
InChIKeyWYIADKSYNUCKHK-UHFFFAOYSA-N
XLogP3.14
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-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

bis(3-cyclopentylpropyl) 2,6-dimethyl-4-(2-phenyl-1H-imidazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 11168962
3-O-methyl 5-O-propyl 2,6-dimethyl-4-(3-methyl-2-methylsulfanylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 11057970
3-O-ethyl 5-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10950484
2-cyclohexylethyl 2-methyl-4-(1-methyl-5-nitroimidazol-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 23630665
diethyl 2,6-dimethyl-4-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 155516568
3-O-methyl 5-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-methylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 11025643
diethyl 2,6-dimethyl-4-(6-methyl-2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 2729685
3-O-ethyl 5-O-(2-methylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743054
4-(3-cyclohexylpropoxy)-2-ethoxycarbonylbutanoic acid
CID 54183825
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10992121
ethyl 5-[[cyclopentylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632142
5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492

Frequently Asked Questions

What is the IUPAC name of 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 102317214) is 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCC2CCCC2)C1c1cnc(S(C)(=O)=O)n1C.
What is the InChIKey of 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is WYIADKSYNUCKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O6S/c1-6-32-22(28)19-15(2)26-16(3)20(23(29)33-13-9-12-17-10-7-8-11-17)21(19)18-14-25-24(27(18)4)34(5,30)31/h14,17,21,26H,6-13H2,1-5H3.
What are the key properties of 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 493.63 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(3-cyclopentylpropyl) 3-O-ethyl 2,6-dimethyl-4-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 102317214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).