3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole

C24H19FN6O2 — CID 170649059

About 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole

3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 170649059) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 170649059
• Molecular Formula: C24H19FN6O2
• Molecular Weight: 442.45 g/mol
• Exact Mass: 442.16
• IUPAC Name: 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: Fc1ncccc1-c1ccc2c(c1)c(-c1noc(-c3ccncc3)n1)nn2C1CCCCO1
• InChI: InChI=1S/C24H19FN6O2/c25-22-17(4-3-10-27-22)16-6-7-19-18(14-16)21(29-31(19)20-5-1-2-13-32-20)23-28-24(33-30-23)15-8-11-26-12-9-15/h3-4,6-12,14,20H,1-2,5,13H2
• InChIKey: OIMDZAPNBVBCHJ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 91.75 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.45
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 170649059) is 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole is Fc1ncccc1-c1ccc2c(c1)c(-c1noc(-c3ccncc3)n1)nn2C1CCCCO1.

What is the InChIKey of 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is OIMDZAPNBVBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c25-22-17(4-3-10-27-22)16-6-7-19-18(14-16)21(29-31(19)20-5-1-2-13-32-20)23-28-24(33-30-23)15-8-11-26-12-9-15/h3-4,6-12,14,20H,1-2,5,13H2.

What are the key properties of 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?

3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 442.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 170649059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).