2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole

C26H27N7O — CID 154639967

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole

2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole (PubChem CID 154639967) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 154639967
• Molecular Formula: C26H27N7O
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.23
• IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
• SMILES: CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nnc(C4CN5CCC4CC5)o3)cc12
• InChI: InChI=1S/C26H27N7O/c1-14(2)22-18-11-16(25-31-32-26(34-25)20-13-33-9-6-15(20)7-10-33)3-4-21(18)29-23(22)17-5-8-27-24-19(17)12-28-30-24/h3-5,8,11-12,14-15,20,29H,6-7,9-10,13H2,1-2H3,(H,27,28,30)
• InChIKey: HNMGFSOROXOLIN-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 99.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole (CID 154639967) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nnc(C4CN5CCC4CC5)o3)cc12.

What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?

The InChIKey is HNMGFSOROXOLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-14(2)22-18-11-16(25-31-32-26(34-25)20-13-33-9-6-15(20)7-10-33)3-4-21(18)29-23(22)17-5-8-27-24-19(17)12-28-30-24/h3-5,8,11-12,14-15,20,29H,6-7,9-10,13H2,1-2H3,(H,27,28,30).

What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?

2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole has a molecular weight of 453.55 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154639967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).