5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C23H17F3N6O — CID 23644867

About 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644867) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 23644867
• Molecular Formula: C23H17F3N6O
• Molecular Weight: 450.42 g/mol
• Exact Mass: 450.14
• IUPAC Name: 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
• SMILES: FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3ccc4[nH]ncc4c3)o2)c1
• InChI: InChI=1S/C23H17F3N6O/c24-23(25,26)16-3-1-4-17(12-16)29-22-32-31-21(33-22)18-5-2-10-27-20(18)9-7-14-6-8-19-15(11-14)13-28-30-19/h1-6,8,10-13H,7,9H2,(H,28,30)(H,29,32)
• InChIKey: XOXQAJUYKVJJCP-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 92.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.42
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 23644867) is 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3ccc4[nH]ncc4c3)o2)c1.

What is the InChIKey of 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is XOXQAJUYKVJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c24-23(25,26)16-3-1-4-17(12-16)29-22-32-31-21(33-22)18-5-2-10-27-20(18)9-7-14-6-8-19-15(11-14)13-28-30-19/h1-6,8,10-13H,7,9H2,(H,28,30)(H,29,32).

What are the key properties of 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 450.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(1H-indazol-5-yl)ethyl]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).