4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one

C24H26FN3O2 — CID 123568927

IUPAC4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one
SMILESCCc1cc(F)ccc1C1CCC1COc1nc(C)ncc1-c1ccn(C)c(=O)c1
InChIInChI=1S/C24H26FN3O2/c1-4-16-11-19(25)6-8-20(16)21-7-5-18(21)14-30-24-22(13-26-15(2)27-24)17-9-10-28(3)23(29)12-17/h6,8-13,18,21H,4-5,7,14H2,1-3H3
InChIKeyFPBFVWZDQFWZAC-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.42
Rot. Bonds6

About 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one

4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one (PubChem CID 123568927) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one
PubChem CID123568927
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one
SMILESCCc1cc(F)ccc1C1CCC1COc1nc(C)ncc1-c1ccn(C)c(=O)c1
InChIInChI=1S/C24H26FN3O2/c1-4-16-11-19(25)6-8-20(16)21-7-5-18(21)14-30-24-22(13-26-15(2)27-24)17-9-10-28(3)23(29)12-17/h6,8-13,18,21H,4-5,7,14H2,1-3H3
InChIKeyFPBFVWZDQFWZAC-UHFFFAOYSA-N
XLogP4.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-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 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one (CID 123568927) is 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one is CCc1cc(F)ccc1C1CCC1COc1nc(C)ncc1-c1ccn(C)c(=O)c1.
What is the InChIKey of 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one?
The InChIKey is FPBFVWZDQFWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-4-16-11-19(25)6-8-20(16)21-7-5-18(21)14-30-24-22(13-26-15(2)27-24)17-9-10-28(3)23(29)12-17/h6,8-13,18,21H,4-5,7,14H2,1-3H3.
What are the key properties of 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one?
4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one has a molecular weight of 407.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-ethyl-4-fluorophenyl)cyclobutyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 123568927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).