N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C90H99F6N17O12 — CID 155449282

About N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449282) has the molecular formula C90H99F6N17O12 and a molecular weight of 1724.88 g/mol. Its IUPAC name is N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155449282
• Molecular Formula: C90H99F6N17O12
• Molecular Weight: 1724.88 g/mol
• Exact Mass: 1723.76
• IUPAC Name: N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CN(C(=O)C1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1)C1CCN(Cc2cccc3c2n(Cc2ccc(NCC4CC5(CCN(CC6CCC(n7cc8cc(NC(=O)c9cccc(C(F)(F)F)n9)c(C(C)(C)O)cc8n7)CC6)CC5)C4)c4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)c(=O)n3C2CCC(=O)NC2=O)CC1
• InChI: InChI=1S/C90H99F6N17O12/c1-86(2,124)59-39-64-54(37-66(59)100-78(116)62-10-7-13-71(98-62)89(91,92)93)47-110(104-64)57-20-15-49(16-21-57)44-108-35-31-88(32-36-108)41-50(42-88)43-97-61-24-19-52(75-76(61)84(122)113(83(75)121)70-26-28-74(115)103-81(70)119)46-109-77-53(9-6-12-68(77)112(85(109)123)69-25-27-73(114)102-80(69)118)45-107-33-29-56(30-34-107)106(5)82(120)51-17-22-58(23-18-51)111-48-55-38-67(60(87(3,4)125)40-65(55)105-111)101-79(117)63-11-8-14-72(99-63)90(94,95)96/h6-14,19,24,37-40,47-51,56-58,69-70,97,124-125H,15-18,20-23,25-36,41-46H2,1-5H3,(H,100,116)(H,101,117)(H,102,114,118)(H,103,115,119)
• InChIKey: QTIKBVCJHINMMV-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 355.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1724.88
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449282) is N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN(C(=O)C1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1)C1CCN(Cc2cccc3c2n(Cc2ccc(NCC4CC5(CCN(CC6CCC(n7cc8cc(NC(=O)c9cccc(C(F)(F)F)n9)c(C(C)(C)O)cc8n7)CC6)CC5)C4)c4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)c(=O)n3C2CCC(=O)NC2=O)CC1.

What is the InChIKey of N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is QTIKBVCJHINMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H99F6N17O12/c1-86(2,124)59-39-64-54(37-66(59)100-78(116)62-10-7-13-71(98-62)89(91,92)93)47-110(104-64)57-20-15-49(16-21-57)44-108-35-31-88(32-36-108)41-50(42-88)43-97-61-24-19-52(75-76(61)84(122)113(83(75)121)70-26-28-74(115)103-81(70)119)46-109-77-53(9-6-12-68(77)112(85(109)123)69-25-27-73(114)102-80(69)118)45-107-33-29-56(30-34-107)106(5)82(120)51-17-22-58(23-18-51)111-48-55-38-67(60(87(3,4)125)40-65(55)105-111)101-79(117)63-11-8-14-72(99-63)90(94,95)96/h6-14,19,24,37-40,47-51,56-58,69-70,97,124-125H,15-18,20-23,25-36,41-46H2,1-5H3,(H,100,116)(H,101,117)(H,102,114,118)(H,103,115,119).

What are the key properties of N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1724.88 g/mol, XLogP of 11.91, 21 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-7-[[3-(2,6-dioxopiperidin-3-yl)-7-[[4-[[4-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexanecarbonyl]-methylamino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).