N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide

C36H35F3N8O5 — CID 166934404

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 166934404) has the molecular formula C36H35F3N8O5 and a molecular weight of 716.72 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide
• PubChem CID: 166934404
• Molecular Formula: C36H35F3N8O5
• Molecular Weight: 716.72 g/mol
• Exact Mass: 716.27
• IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide
• SMILES: CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(N2CCC(C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)cn1
• InChI: InChI=1S/C36H35F3N8O5/c1-35(2,34(52)42-23-4-3-21(15-40)28(13-23)36(37,38)39)46-19-25(16-41-46)44-11-9-20(10-12-44)22-17-45(18-22)24-5-6-26-27(14-24)33(51)47(32(26)50)29-7-8-30(48)43-31(29)49/h3-6,13-14,16,19-20,22,29H,7-12,17-18H2,1-2H3,(H,42,52)(H,43,48,49)
• InChIKey: CXUCSRYXXZSGNJ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 160.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	716.72
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide?

The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide (CID 166934404) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide.

What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide?

The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(N2CCC(C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)cn1.

What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide?

The InChIKey is CXUCSRYXXZSGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N8O5/c1-35(2,34(52)42-23-4-3-21(15-40)28(13-23)36(37,38)39)46-19-25(16-41-46)44-11-9-20(10-12-44)22-17-45(18-22)24-5-6-26-27(14-24)33(51)47(32(26)50)29-7-8-30(48)43-31(29)49/h3-6,13-14,16,19-20,22,29H,7-12,17-18H2,1-2H3,(H,42,52)(H,43,48,49).

What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide?

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 716.72 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 166934404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).