4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide

C26H23F2N7O3 — CID 134477706

About 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide

4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 134477706) has the molecular formula C26H23F2N7O3 and a molecular weight of 519.51 g/mol. Its IUPAC name is 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 134477706
• Molecular Formula: C26H23F2N7O3
• Molecular Weight: 519.51 g/mol
• Exact Mass: 519.18
• IUPAC Name: 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide
• SMILES: Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(C#N)cc5)CC4(F)F)n3)ccc12
• InChI: InChI=1S/C26H23F2N7O3/c1-15-19-8-7-18(11-21(19)34(2)32-15)23-31-25(38-33-23)20-9-10-35(14-26(20,27)28)22(36)13-30-24(37)17-5-3-16(12-29)4-6-17/h3-8,11,20H,9-10,13-14H2,1-2H3,(H,30,37)
• InChIKey: SPGGYDQGXHAIEX-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 129.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.51
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide?

The IUPAC name of 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide (CID 134477706) is 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide is Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(C#N)cc5)CC4(F)F)n3)ccc12.

What is the InChIKey of 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide?

The InChIKey is SPGGYDQGXHAIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O3/c1-15-19-8-7-18(11-21(19)34(2)32-15)23-31-25(38-33-23)20-9-10-35(14-26(20,27)28)22(36)13-30-24(37)17-5-3-16(12-29)4-6-17/h3-8,11,20H,9-10,13-14H2,1-2H3,(H,30,37).

What are the key properties of 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide?

4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 519.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 134477706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).