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

C32H25F3N8O5 — CID 167460102

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

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 167460102) has the molecular formula C32H25F3N8O5 and a molecular weight of 658.60 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide
• PubChem CID: 167460102
• Molecular Formula: C32H25F3N8O5
• Molecular Weight: 658.60 g/mol
• Exact Mass: 658.19
• IUPAC Name: N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide
• SMILES: CC(C)(C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1)n1cc(C#CC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cn1
• InChI: InChI=1S/C32H25F3N8O5/c1-31(2,30(48)39-19-9-23(32(33,34)35)24(11-36)37-13-19)42-16-17(12-38-42)3-4-18-14-41(15-18)20-5-6-21-22(10-20)29(47)43(28(21)46)25-7-8-26(44)40-27(25)45/h5-6,9-10,12-13,16,18,25H,7-8,14-15H2,1-2H3,(H,39,48)(H,40,44,45)
• InChIKey: BIGJYSQUGZAYCA-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 170.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.60
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide (CID 167460102) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide.

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

The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1)n1cc(C#CC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cn1.

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

The InChIKey is BIGJYSQUGZAYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N8O5/c1-31(2,30(48)39-19-9-23(32(33,34)35)24(11-36)37-13-19)42-16-17(12-38-42)3-4-18-14-41(15-18)20-5-6-21-22(10-20)29(47)43(28(21)46)25-7-8-26(44)40-27(25)45/h5-6,9-10,12-13,16,18,25H,7-8,14-15H2,1-2H3,(H,39,48)(H,40,44,45).

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

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 658.60 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 167460102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).