5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one

C32H38FN3O5 — CID 153294858

About 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one

5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one (PubChem CID 153294858) has the molecular formula C32H38FN3O5 and a molecular weight of 563.67 g/mol. Its IUPAC name is 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one.

Molecular Properties

• Compound Name: 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one
• PubChem CID: 153294858
• Molecular Formula: C32H38FN3O5
• Molecular Weight: 563.67 g/mol
• Exact Mass: 563.28
• IUPAC Name: 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one
• SMILES: Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OC1CCC(N2CCNC2=O)CC1
• InChI: InChI=1S/C32H38FN3O5/c1-19-14-22(33)15-20(2)30(19)41-27-11-6-21(32(3,4)39)16-25(27)26-18-35(5)29(37)17-28(26)40-24-9-7-23(8-10-24)36-13-12-34-31(36)38/h6,11,14-18,23-24,39H,7-10,12-13H2,1-5H3,(H,34,38)
• InChIKey: MXVHQFZFCRFCJV-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 93.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.67
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one?

The IUPAC name of 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one (CID 153294858) is 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one.

What is the SMILES notation for 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one?

The canonical SMILES for 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OC1CCC(N2CCNC2=O)CC1.

What is the InChIKey of 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one?

The InChIKey is MXVHQFZFCRFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O5/c1-19-14-22(33)15-20(2)30(19)41-27-11-6-21(32(3,4)39)16-25(27)26-18-35(5)29(37)17-28(26)40-24-9-7-23(8-10-24)36-13-12-34-31(36)38/h6,11,14-18,23-24,39H,7-10,12-13H2,1-5H3,(H,34,38).

What are the key properties of 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one?

5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one has a molecular weight of 563.67 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one is sourced from PubChem (CID 153294858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).