ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H26FNO5 — CID 93331713

IUPACethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@@H]1c1cccc(OC)c1OC
InChIInChI=1S/C24H26FNO5/c1-5-31-24(28)22-15(2)26(14-16-9-11-17(25)12-10-16)21(27)13-19(22)18-7-6-8-20(29-3)23(18)30-4/h6-12,19H,5,13-14H2,1-4H3/t19-/m1/s1
InChIKeyJWAMFIFQGXOYMR-LJQANCHMSA-N
MW427.47 g/mol
LogP4.20
Rot. Bonds7

About ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 93331713) has the molecular formula C24H26FNO5 and a molecular weight of 427.47 g/mol. Its IUPAC name is ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID93331713
Molecular FormulaC24H26FNO5
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Nameethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@@H]1c1cccc(OC)c1OC
InChIInChI=1S/C24H26FNO5/c1-5-31-24(28)22-15(2)26(14-16-9-11-17(25)12-10-16)21(27)13-19(22)18-7-6-8-20(29-3)23(18)30-4/h6-12,19H,5,13-14H2,1-4H3/t19-/m1/s1
InChIKeyJWAMFIFQGXOYMR-LJQANCHMSA-N
XLogP4.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-fluorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854031
diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 2233368
ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761315
ethyl (4R)-1-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 92517492
benzyl 4-(4-fluorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854562
ethyl 1-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 5253239
ethyl 4-(2-chlorophenyl)-1-[[3-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4535044
ethyl 1-[[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 3271380
ethyl 1-[[4-(3,3-diphenylpropylcarbamoyl)phenyl]methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3469835
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3399911
ethyl 4-(3-fluorophenyl)-1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4040943
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 93331713) is ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@@H]1c1cccc(OC)c1OC.
What is the InChIKey of ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is JWAMFIFQGXOYMR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26FNO5/c1-5-31-24(28)22-15(2)26(14-16-9-11-17(25)12-10-16)21(27)13-19(22)18-7-6-8-20(29-3)23(18)30-4/h6-12,19H,5,13-14H2,1-4H3/t19-/m1/s1.
What are the key properties of ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 427.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 93331713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).