2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole

C59H56F2N12O2 — CID 159826543

About 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole

2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole (PubChem CID 159826543) has the molecular formula C59H56F2N12O2 and a molecular weight of 1003.18 g/mol. Its IUPAC name is 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 159826543
• Molecular Formula: C59H56F2N12O2
• Molecular Weight: 1003.18 g/mol
• Exact Mass: 1002.46
• IUPAC Name: 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2n[nH]c3ccc(-c4nnc(C5CCC6CCC5N6Cc5ccccc5F)o4)cc23)ccn1.Cc1cc(-c2nn(C)c3ccc(-c4nnc(C5CCC6CCC5N6Cc5ccccc5F)o4)cc23)ccn1
• InChI: InChI=1S/C30H29FN6O.C29H27FN6O/c1-18-15-19(13-14-32-18)28-24-16-20(7-11-26(24)36(2)35-28)29-33-34-30(38-29)23-10-8-22-9-12-27(23)37(22)17-21-5-3-4-6-25(21)31;1-17-14-18(12-13-31-17)27-23-15-19(6-10-25(23)32-33-27)28-34-35-29(37-28)22-9-7-21-8-11-26(22)36(21)16-20-4-2-3-5-24(20)30/h3-7,11,13-16,22-23,27H,8-10,12,17H2,1-2H3;2-6,10,12-15,21-22,26H,7-9,11,16H2,1H3,(H,32,33)
• InChIKey: NMXHJVSKZCBDNH-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 156.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.18
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole (CID 159826543) is 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole is Cc1cc(-c2n[nH]c3ccc(-c4nnc(C5CCC6CCC5N6Cc5ccccc5F)o4)cc23)ccn1.Cc1cc(-c2nn(C)c3ccc(-c4nnc(C5CCC6CCC5N6Cc5ccccc5F)o4)cc23)ccn1.

What is the InChIKey of 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The InChIKey is NMXHJVSKZCBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O.C29H27FN6O/c1-18-15-19(13-14-32-18)28-24-16-20(7-11-26(24)36(2)35-28)29-33-34-30(38-29)23-10-8-22-9-12-27(23)37(22)17-21-5-3-4-6-25(21)31;1-17-14-18(12-13-31-17)27-23-15-19(6-10-25(23)32-33-27)28-34-35-29(37-28)22-9-7-21-8-11-26(22)36(21)16-20-4-2-3-5-24(20)30/h3-7,11,13-16,22-23,27H,8-10,12,17H2,1-2H3;2-6,10,12-15,21-22,26H,7-9,11,16H2,1H3,(H,32,33).

What are the key properties of 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 1003.18 g/mol, XLogP of 12.08, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 159826543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).