3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one

C25H21FN2O — CID 118651264

IUPAC3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(C)c(-c3ccc(-c4ccc(F)cc4)cn3)c2C)c(=O)[nH]1
InChIInChI=1S/C25H21FN2O/c1-15-4-11-21(22-12-5-16(2)28-25(22)29)17(3)24(15)23-13-8-19(14-27-23)18-6-9-20(26)10-7-18/h4-14H,1-3H3,(H,28,29)
InChIKeyQDIOMDPQVZWGDW-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.84
Rot. Bonds3

About 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one

3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one (PubChem CID 118651264) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one
PubChem CID118651264
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC Name3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(C)c(-c3ccc(-c4ccc(F)cc4)cn3)c2C)c(=O)[nH]1
InChIInChI=1S/C25H21FN2O/c1-15-4-11-21(22-12-5-16(2)28-25(22)29)17(3)24(15)23-13-8-19(14-27-23)18-6-9-20(26)10-7-18/h4-14H,1-3H3,(H,28,29)
InChIKeyQDIOMDPQVZWGDW-UHFFFAOYSA-N
XLogP5.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoro-4-methylphenyl)-5-(6-methyl-3-pyridinyl)pyridine
CID 22899584
6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091914
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092861
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
5-(4-fluorophenyl)pyridin-2-amine
CID 22504802
4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole
CID 70990406
5-(2-fluoro-4-methylphenyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 54326590
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
CID 170284625
2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317205
6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidin-2-one
CID 106514972
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one (CID 118651264) is 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(-c2ccc(C)c(-c3ccc(-c4ccc(F)cc4)cn3)c2C)c(=O)[nH]1.
What is the InChIKey of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is QDIOMDPQVZWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O/c1-15-4-11-21(22-12-5-16(2)28-25(22)29)17(3)24(15)23-13-8-19(14-27-23)18-6-9-20(26)10-7-18/h4-14H,1-3H3,(H,28,29).
What are the key properties of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one?
3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 384.45 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]-2,4-dimethylphenyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118651264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).