5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate

C67H68F9N7O8 — CID 160773904

About 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate

5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate (PubChem CID 160773904) has the molecular formula C67H68F9N7O8 and a molecular weight of 1270.30 g/mol. Its IUPAC name is 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate.

Molecular Properties

• Compound Name: 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate
• PubChem CID: 160773904
• Molecular Formula: C67H68F9N7O8
• Molecular Weight: 1270.30 g/mol
• Exact Mass: 1269.50
• IUPAC Name: 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate
• SMILES: Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)c(C#N)c1.Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)c(C(=O)O)c1.Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)c(C(=O)OC2CCCO2)c1
• InChI: InChI=1S/C25H27F3N2O4.C21H20F3N3O.C21H21F3N2O3/c1-15-4-8-21(20(11-15)24(31)34-23-3-2-10-32-23)33-19-12-17-6-7-18(13-19)30(17)22-9-5-16(14-29-22)25(26,27)28;1-13-2-6-19(14(8-13)11-25)28-18-9-16-4-5-17(10-18)27(16)20-7-3-15(12-26-20)21(22,23)24;1-12-2-6-18(17(8-12)20(27)28)29-16-9-14-4-5-15(10-16)26(14)19-7-3-13(11-25-19)21(22,23)24/h4-5,8-9,11,14,17-19,23H,2-3,6-7,10,12-13H2,1H3;2-3,6-8,12,16-18H,4-5,9-10H2,1H3;2-3,6-8,11,14-16H,4-5,9-10H2,1H3,(H,27,28)/t17-,18+,19?,23?;16-,17+,18?;14-,15+,16?
• InChIKey: RZRMPLUWQDVRIC-HLMJGHDISA-N
• XLogP: 14.83
• TPSA: 172.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.30
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate?

The IUPAC name of 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate (CID 160773904) is 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate.

What is the SMILES notation for 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate?

The canonical SMILES for 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate is Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)c(C#N)c1.Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)c(C(=O)O)c1.Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)c(C(=O)OC2CCCO2)c1.

What is the InChIKey of 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate?

The InChIKey is RZRMPLUWQDVRIC-HLMJGHDISA-N. The full InChI is InChI=1S/C25H27F3N2O4.C21H20F3N3O.C21H21F3N2O3/c1-15-4-8-21(20(11-15)24(31)34-23-3-2-10-32-23)33-19-12-17-6-7-18(13-19)30(17)22-9-5-16(14-29-22)25(26,27)28;1-13-2-6-19(14(8-13)11-25)28-18-9-16-4-5-17(10-18)27(16)20-7-3-15(12-26-20)21(22,23)24;1-12-2-6-18(17(8-12)20(27)28)29-16-9-14-4-5-15(10-16)26(14)19-7-3-13(11-25-19)21(22,23)24/h4-5,8-9,11,14,17-19,23H,2-3,6-7,10,12-13H2,1H3;2-3,6-8,12,16-18H,4-5,9-10H2,1H3;2-3,6-8,11,14-16H,4-5,9-10H2,1H3,(H,27,28)/t17-,18+,19?,23?;16-,17+,18?;14-,15+,16?.

What are the key properties of 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate?

5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate has a molecular weight of 1270.30 g/mol, XLogP of 14.83, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoic acid;5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzonitrile;oxolan-2-yl 5-methyl-2-[[(1S,5R)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate is sourced from PubChem (CID 160773904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).