3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one

C25H26FNO3 — CID 67076323

IUPAC3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c(C)[nH]c(=O)c2C2CCCC2)c1
InChIInChI=1S/C25H26FNO3/c1-15-22(17-8-10-19(26)11-9-17)23(18-12-20(29-2)14-21(13-18)30-3)24(25(28)27-15)16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,27,28)
InChIKeySIEFVXLOVMFQBS-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.83
Rot. Bonds5

About 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one

3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one (PubChem CID 67076323) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one
PubChem CID67076323
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c(C)[nH]c(=O)c2C2CCCC2)c1
InChIInChI=1S/C25H26FNO3/c1-15-22(17-8-10-19(26)11-9-17)23(18-12-20(29-2)14-21(13-18)30-3)24(25(28)27-15)16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,27,28)
InChIKeySIEFVXLOVMFQBS-UHFFFAOYSA-N
XLogP5.83
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine
CID 67076023
2-(3-cyclopentyl-7-methoxy-2-oxo-1H-quinolin-4-yl)acetamide
CID 69133416
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
[3-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl-piperidin-4-ylcarbamoyl]-5-methoxyphenyl] methanesulfonate
CID 87704018
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
methyl 4-[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 39351546
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766751
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926288

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one (CID 67076323) is 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one is COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c(C)[nH]c(=O)c2C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is SIEFVXLOVMFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-15-22(17-8-10-19(26)11-9-17)23(18-12-20(29-2)14-21(13-18)30-3)24(25(28)27-15)16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,27,28).
What are the key properties of 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one?
3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 407.49 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 67076323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).