6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

C22H28FNO2 — CID 53304030

IUPAC6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C22H28FNO2/c1-14(2)21-20(26-19-7-5-4-6-15(19)3)13-18(24-22(21)25)12-16-8-10-17(23)11-9-16/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyMUDYHJQHRRARHV-UHFFFAOYSA-N
MW357.47 g/mol
LogP5.19
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 53304030) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
PubChem CID53304030
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Name6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C22H28FNO2/c1-14(2)21-20(26-19-7-5-4-6-15(19)3)13-18(24-22(21)25)12-16-8-10-17(23)11-9-16/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyMUDYHJQHRRARHV-UHFFFAOYSA-N
XLogP5.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (CID 53304030) is 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is MUDYHJQHRRARHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO2/c1-14(2)21-20(26-19-7-5-4-6-15(19)3)13-18(24-22(21)25)12-16-8-10-17(23)11-9-16/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,24,25).
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 357.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 53304030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).