5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C24H24FN7O2 — CID 58735213

About 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 58735213) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 58735213
• Molecular Formula: C24H24FN7O2
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.20
• IUPAC Name: 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: [C-]#[N+]c1ccc(-c2c(C)nn3c(OC4CCN(c5nc(C(C)C)no5)CC4)ccnc23)c(F)c1
• InChI: InChI=1S/C24H24FN7O2/c1-14(2)22-28-24(34-30-22)31-11-8-17(9-12-31)33-20-7-10-27-23-21(15(3)29-32(20)23)18-6-5-16(26-4)13-19(18)25/h5-7,10,13-14,17H,8-9,11-12H2,1-3H3
• InChIKey: DWLOEBPFHPYUCT-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 85.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.50
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 58735213) is 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is [C-]#[N+]c1ccc(-c2c(C)nn3c(OC4CCN(c5nc(C(C)C)no5)CC4)ccnc23)c(F)c1.

What is the InChIKey of 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The InChIKey is DWLOEBPFHPYUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-14(2)22-28-24(34-30-22)31-11-8-17(9-12-31)33-20-7-10-27-23-21(15(3)29-32(20)23)18-6-5-16(26-4)13-19(18)25/h5-7,10,13-14,17H,8-9,11-12H2,1-3H3.

What are the key properties of 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 461.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 58735213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).