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

C32H29F3N8O5 — CID 166934354

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

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 166934354) has the molecular formula C32H29F3N8O5 and a molecular weight of 662.63 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide
• PubChem CID: 166934354
• Molecular Formula: C32H29F3N8O5
• Molecular Weight: 662.63 g/mol
• Exact Mass: 662.22
• IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide
• SMILES: CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cn1
• InChI: InChI=1S/C32H29F3N8O5/c1-31(2,30(48)38-19-4-3-18(15-36)24(13-19)32(33,34)35)42-17-21(16-37-42)41-11-9-40(10-12-41)20-5-6-22-23(14-20)29(47)43(28(22)46)25-7-8-26(44)39-27(25)45/h3-6,13-14,16-17,25H,7-12H2,1-2H3,(H,38,48)(H,39,44,45)
• InChIKey: IYBBAFYJKHGRIL-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 160.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.63
LogP ≤ 5	2.88
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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide?

The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide (CID 166934354) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide.

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

The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cn1.

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

The InChIKey is IYBBAFYJKHGRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N8O5/c1-31(2,30(48)38-19-4-3-18(15-36)24(13-19)32(33,34)35)42-17-21(16-37-42)41-11-9-40(10-12-41)20-5-6-22-23(14-20)29(47)43(28(22)46)25-7-8-26(44)39-27(25)45/h3-6,13-14,16-17,25H,7-12H2,1-2H3,(H,38,48)(H,39,44,45).

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

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 662.63 g/mol, XLogP of 2.88, 6 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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 166934354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).