potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide

C41H44F3KN10O4 — CID 166117373

About potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide

potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide (PubChem CID 166117373) has the molecular formula C41H44F3KN10O4 and a molecular weight of 836.96 g/mol. Its IUPAC name is potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide.

Molecular Properties

• Compound Name: potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide
• PubChem CID: 166117373
• Molecular Formula: C41H44F3KN10O4
• Molecular Weight: 836.96 g/mol
• Exact Mass: 836.31
• IUPAC Name: potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide
• SMILES: [H]/N=C(\c1ccc(CNC(=O)c2noc(C3(C(F)(F)F)CC3)n2)c(C)c1)c1cc(CCN2CCC(c3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)CC2)cn1[N-]C.[K+]
• InChI: InChI=1S/C41H44F3N10O4.K/c1-23-18-27(4-5-28(23)21-47-38(57)36-49-39(58-51-36)40(13-14-40)41(42,43)44)34(45)32-19-24(22-54(32)46-2)10-15-53-16-11-25(12-17-53)26-6-7-29-31(20-26)52(3)50-35(29)30-8-9-33(55)48-37(30)56;/h4-7,18-20,22,25,30,45H,8-17,21H2,1-3H3,(H,47,57)(H,48,55,56);/q-1;+1/b45-34+
• InChIKey: OIFLQQVNRZSCTJ-WYOLBIAOSA-N
• XLogP: 2.72
• TPSA: 178.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.96
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide?

The IUPAC name of potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide (CID 166117373) is potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide.

What is the SMILES notation for potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide?

The canonical SMILES for potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide is [H]/N=C(\c1ccc(CNC(=O)c2noc(C3(C(F)(F)F)CC3)n2)c(C)c1)c1cc(CCN2CCC(c3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)CC2)cn1[N-]C.[K+].

What is the InChIKey of potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide?

The InChIKey is OIFLQQVNRZSCTJ-WYOLBIAOSA-N. The full InChI is InChI=1S/C41H44F3N10O4.K/c1-23-18-27(4-5-28(23)21-47-38(57)36-49-39(58-51-36)40(13-14-40)41(42,43)44)34(45)32-19-24(22-54(32)46-2)10-15-53-16-11-25(12-17-53)26-6-7-29-31(20-26)52(3)50-35(29)30-8-9-33(55)48-37(30)56;/h4-7,18-20,22,25,30,45H,8-17,21H2,1-3H3,(H,47,57)(H,48,55,56);/q-1;+1/b45-34+;.

What are the key properties of potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide?

potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide has a molecular weight of 836.96 g/mol, XLogP of 2.72, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium [4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]ethyl]-2-[3-methyl-4-[[[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole-3-carbonyl]amino]methyl]benzenecarboximidoyl]pyrrol-1-yl]-methylazanide is sourced from PubChem (CID 166117373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).