5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

C21H18FN3O — CID 129053950

IUPAC5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(Cc4ccc(F)cc4)n3c2)cn(C)c1=O
InChIInChI=1S/C21H18FN3O/c1-14-9-17(12-24(2)21(14)26)16-5-8-20-23-11-19(25(20)13-16)10-15-3-6-18(22)7-4-15/h3-9,11-13H,10H2,1-2H3
InChIKeyIGVJVELTZMFQBW-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.74
Rot. Bonds3

About 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 129053950) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID129053950
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(Cc4ccc(F)cc4)n3c2)cn(C)c1=O
InChIInChI=1S/C21H18FN3O/c1-14-9-17(12-24(2)21(14)26)16-5-8-20-23-11-19(25(20)13-16)10-15-3-6-18(22)7-4-15/h3-9,11-13H,10H2,1-2H3
InChIKeyIGVJVELTZMFQBW-UHFFFAOYSA-N
XLogP3.74
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 129053950) is 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3ncc(Cc4ccc(F)cc4)n3c2)cn(C)c1=O.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is IGVJVELTZMFQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14-9-17(12-24(2)21(14)26)16-5-8-20-23-11-19(25(20)13-16)10-15-3-6-18(22)7-4-15/h3-9,11-13H,10H2,1-2H3.
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 347.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 129053950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).