ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

C32H29ClN4O3S — CID 15005355

IUPACethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-c3sc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
InChIInChI=1S/C32H29ClN4O3S/c1-5-40-32(39)28-27(23-10-6-7-11-24(23)33)26(31(38)37-25-12-8-9-17-34-25)18(2)36-29(28)21-13-15-22(16-14-21)30-19(3)35-20(4)41-30/h6-17,27,36H,5H2,1-4H3,(H,34,37,38)
InChIKeyIEHJPYAALFZMBX-UHFFFAOYSA-N
MW585.13 g/mol
LogP7.05
Rot. Bonds7

About ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate (PubChem CID 15005355) has the molecular formula C32H29ClN4O3S and a molecular weight of 585.13 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
PubChem CID15005355
Molecular FormulaC32H29ClN4O3S
Molecular Weight585.13 g/mol
Exact Mass584.16
IUPAC Nameethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-c3sc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
InChIInChI=1S/C32H29ClN4O3S/c1-5-40-32(39)28-27(23-10-6-7-11-24(23)33)26(31(38)37-25-12-8-9-17-34-25)18(2)36-29(28)21-13-15-22(16-14-21)30-19(3)35-20(4)41-30/h6-17,27,36H,5H2,1-4H3,(H,34,37,38)
InChIKeyIEHJPYAALFZMBX-UHFFFAOYSA-N
XLogP7.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.13
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
CID 15005336
5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 71709641
5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-(hydroxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143117884
(4S,7R)-4-(2-chlorophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51419276
(4R,7R)-4-(2-chlorophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51419264
7-(2-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135813536
ethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 5153329
ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584151
3-O-cyclohexyl 5-O-ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 15005368
ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate
CID 54244828
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;pyridine
CID 19026228
diethyl 2-(4-chlorophenyl)-6-methyl-4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 5379597

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate (CID 15005355) is ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(c2ccc(-c3sc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
The InChIKey is IEHJPYAALFZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O3S/c1-5-40-32(39)28-27(23-10-6-7-11-24(23)33)26(31(38)37-25-12-8-9-17-34-25)18(2)36-29(28)21-13-15-22(16-14-21)30-19(3)35-20(4)41-30/h6-17,27,36H,5H2,1-4H3,(H,34,37,38).
What are the key properties of ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate has a molecular weight of 585.13 g/mol, XLogP of 7.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 15005355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).