8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine

C27H28F3N7O2 — CID 46206647

About 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 46206647) has the molecular formula C27H28F3N7O2 and a molecular weight of 539.56 g/mol. Its IUPAC name is 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

• Compound Name: 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
• PubChem CID: 46206647
• Molecular Formula: C27H28F3N7O2
• Molecular Weight: 539.56 g/mol
• Exact Mass: 539.23
• IUPAC Name: 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
• SMILES: Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NC2CC3CCC(C2)N3C)nc1
• InChI: InChI=1S/C27H28F3N7O2/c1-16-11-23(26-33-25(35-39-26)18-4-8-22(9-5-18)38-27(28,29)30)34-37(16)15-17-3-10-24(31-14-17)32-19-12-20-6-7-21(13-19)36(20)2/h3-5,8-11,14,19-21H,6-7,12-13,15H2,1-2H3,(H,31,32)
• InChIKey: ZGFQFESXUYGXTQ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 94.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.56
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?

The IUPAC name of 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 46206647) is 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine.

What is the SMILES notation for 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?

The canonical SMILES for 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NC2CC3CCC(C2)N3C)nc1.

What is the InChIKey of 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?

The InChIKey is ZGFQFESXUYGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O2/c1-16-11-23(26-33-25(35-39-26)18-4-8-22(9-5-18)38-27(28,29)30)34-37(16)15-17-3-10-24(31-14-17)32-19-12-20-6-7-21(13-19)36(20)2/h3-5,8-11,14,19-21H,6-7,12-13,15H2,1-2H3,(H,31,32).

What are the key properties of 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?

8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 539.56 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-N-[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 46206647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).