3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C34H37FN2O6 — CID 153294975

About 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 153294975) has the molecular formula C34H37FN2O6 and a molecular weight of 588.68 g/mol. Its IUPAC name is 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

• Compound Name: 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
• PubChem CID: 153294975
• Molecular Formula: C34H37FN2O6
• Molecular Weight: 588.68 g/mol
• Exact Mass: 588.26
• IUPAC Name: 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
• SMILES: Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OC1CCC(N2C(=O)C3CC3C2=O)CC1
• InChI: InChI=1S/C34H37FN2O6/c1-18-12-21(35)13-19(2)31(18)43-28-11-6-20(34(3,4)41)14-24(28)27-17-36(5)30(38)16-29(27)42-23-9-7-22(8-10-23)37-32(39)25-15-26(25)33(37)40/h6,11-14,16-17,22-23,25-26,41H,7-10,15H2,1-5H3
• InChIKey: YKSPCDFUZWOQAV-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 98.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.68
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?

The IUPAC name of 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 153294975) is 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

What is the SMILES notation for 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?

The canonical SMILES for 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OC1CCC(N2C(=O)C3CC3C2=O)CC1.

What is the InChIKey of 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?

The InChIKey is YKSPCDFUZWOQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN2O6/c1-18-12-21(35)13-19(2)31(18)43-28-11-6-20(34(3,4)41)14-24(28)27-17-36(5)30(38)16-29(27)42-23-9-7-22(8-10-23)37-32(39)25-15-26(25)33(37)40/h6,11-14,16-17,22-23,25-26,41H,7-10,15H2,1-5H3.

What are the key properties of 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?

3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 588.68 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 153294975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).