N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C45H48F6N8O6 — CID 155449050

About N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449050) has the molecular formula C45H48F6N8O6 and a molecular weight of 910.92 g/mol. Its IUPAC name is N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155449050
• Molecular Formula: C45H48F6N8O6
• Molecular Weight: 910.92 g/mol
• Exact Mass: 910.36
• IUPAC Name: N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCC4CC5(CCN(CC6CCC(n7cc8cc(NC(=O)c9cccc(C(F)(F)F)n9)c(OC(F)(F)F)cc8n7)CC6)CC5)C4)c3C2O)C(=O)N1
• InChI: InChI=1S/C45H48F6N8O6/c46-44(47,48)36-6-2-5-31(53-36)39(61)54-33-19-27-24-58(56-32(27)20-35(33)65-45(49,50)51)28-9-7-25(8-10-28)23-57-17-14-43(15-18-57)21-26(22-43)13-16-52-30-4-1-3-29-38(30)42(64)59(41(29)63)34-11-12-37(60)55-40(34)62/h1-6,19-20,24-26,28,34,42,52,64H,7-18,21-23H2,(H,54,61)(H,55,60,62)
• InChIKey: SBUXXUVEWLDFJA-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 171.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.92
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449050) is N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCC4CC5(CCN(CC6CCC(n7cc8cc(NC(=O)c9cccc(C(F)(F)F)n9)c(OC(F)(F)F)cc8n7)CC6)CC5)C4)c3C2O)C(=O)N1.

What is the InChIKey of N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is SBUXXUVEWLDFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48F6N8O6/c46-44(47,48)36-6-2-5-31(53-36)39(61)54-33-19-27-24-58(56-32(27)20-35(33)65-45(49,50)51)28-9-7-25(8-10-28)23-57-17-14-43(15-18-57)21-26(22-43)13-16-52-30-4-1-3-29-38(30)42(64)59(41(29)63)34-11-12-37(60)55-40(34)62/h1-6,19-20,24-26,28,34,42,52,64H,7-18,21-23H2,(H,54,61)(H,55,60,62).

What are the key properties of N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 910.92 g/mol, XLogP of 7.58, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(trifluoromethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).