(4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C21H19FN6O2 — CID 92563253

About (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 92563253) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 92563253
• Molecular Formula: C21H19FN6O2
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.16
• IUPAC Name: (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cnc(-c2nnc(C3CCN(C(=O)c4cc5c(F)cccc5[nH]4)CC3)o2)cn1
• InChI: InChI=1S/C21H19FN6O2/c1-12-10-24-18(11-23-12)20-27-26-19(30-20)13-5-7-28(8-6-13)21(29)17-9-14-15(22)3-2-4-16(14)25-17/h2-4,9-11,13,25H,5-8H2,1H3
• InChIKey: SPYCDSZDNKLNCY-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 92563253) is (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cc1cnc(-c2nnc(C3CCN(C(=O)c4cc5c(F)cccc5[nH]4)CC3)o2)cn1.

What is the InChIKey of (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is SPYCDSZDNKLNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-12-10-24-18(11-23-12)20-27-26-19(30-20)13-5-7-28(8-6-13)21(29)17-9-14-15(22)3-2-4-16(14)25-17/h2-4,9-11,13,25H,5-8H2,1H3.

What are the key properties of (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

(4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 406.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92563253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).