tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C24H26F3N3O5 — CID 166487209

IUPACtert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(COc3ccc(-c4cc(C(N)=O)c(=O)[nH]c4C(F)(F)F)cc3)C2C1
InChIInChI=1S/C24H26F3N3O5/c1-23(2,3)35-22(33)30-9-16-17(10-30)18(16)11-34-13-6-4-12(5-7-13)14-8-15(20(28)31)21(32)29-19(14)24(25,26)27/h4-8,16-18H,9-11H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyYRVIJGAAHNVKHS-UHFFFAOYSA-N
MW493.48 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 166487209) has the molecular formula C24H26F3N3O5 and a molecular weight of 493.48 g/mol. Its IUPAC name is tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID166487209
Molecular FormulaC24H26F3N3O5
Molecular Weight493.48 g/mol
Exact Mass493.18
IUPAC Nametert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(COc3ccc(-c4cc(C(N)=O)c(=O)[nH]c4C(F)(F)F)cc3)C2C1
InChIInChI=1S/C24H26F3N3O5/c1-23(2,3)35-22(33)30-9-16-17(10-30)18(16)11-34-13-6-4-12(5-7-13)14-8-15(20(28)31)21(32)29-19(14)24(25,26)27/h4-8,16-18H,9-11H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyYRVIJGAAHNVKHS-UHFFFAOYSA-N
XLogP3.65
TPSA114.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

5-[4-(oxan-4-ylmethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487366
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486899
5-[4-[[(1R,3R,6S)-7,7-difluoro-2,5-dioxabicyclo[4.1.0]heptan-3-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487398
5-[4-[[(1S,3S,6R)-7,7-difluoro-1-methyl-2,5-dioxabicyclo[4.1.0]heptan-3-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486947
5-[4-[[(2S,6S)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486804
5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487155
2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide
CID 166487064
5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487335
5-[4-[[(2S,6R)-6-(2-fluoroethoxymethyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487418
5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486935
5-[4-[[(2S,6R)-6-methyl-6-(methylsulfonylmethyl)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487216
2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 166487209) is tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2C(COc3ccc(-c4cc(C(N)=O)c(=O)[nH]c4C(F)(F)F)cc3)C2C1.
What is the InChIKey of tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is YRVIJGAAHNVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O5/c1-23(2,3)35-22(33)30-9-16-17(10-30)18(16)11-34-13-6-4-12(5-7-13)14-8-15(20(28)31)21(32)29-19(14)24(25,26)27/h4-8,16-18H,9-11H2,1-3H3,(H2,28,31)(H,29,32).
What are the key properties of tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 493.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 166487209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).