N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide

C88H98F4N16O12 — CID 155449549

About N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide

N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (PubChem CID 155449549) has the molecular formula C88H98F4N16O12 and a molecular weight of 1647.84 g/mol. Its IUPAC name is N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
• PubChem CID: 155449549
• Molecular Formula: C88H98F4N16O12
• Molecular Weight: 1647.84 g/mol
• Exact Mass: 1646.75
• IUPAC Name: N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cc(CC(C)(O)c2cc3nn(CCCN(C)C4CCC5(CC4)CC(Nc4cccc6c4C(O)N(C4CCC(=O)NC4=O)C6=O)C5)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)cc(C(C)(C)F)n1
• InChI: InChI=1S/C88H98F4N16O12/c1-84(2,89)71-35-49(34-66(96-71)77(112)98-65-37-51-47-106(102-63(51)39-69(65)120-5)55-18-16-48(17-19-55)45-104-32-28-87(29-33-104)43-53(44-87)94-60-13-7-11-57-75(60)83(118)108(81(57)116)68-21-23-73(110)100-79(68)114)40-85(3,119)58-38-62-50(36-64(58)97-76(111)61-14-8-15-70(95-61)88(90,91)92)46-105(101-62)31-9-30-103(4)54-24-26-86(27-25-54)41-52(42-86)93-59-12-6-10-56-74(59)82(117)107(80(56)115)67-20-22-72(109)99-78(67)113/h6-8,10-15,34-39,46-48,52-55,67-68,82,93-94,117,119H,9,16-33,40-45H2,1-5H3,(H,97,111)(H,98,112)(H,99,109,113)(H,100,110,114)
• InChIKey: ZIPDBBTYZQKXSQ-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 349.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1647.84
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (CID 155449549) is N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cc(CC(C)(O)c2cc3nn(CCCN(C)C4CCC5(CC4)CC(Nc4cccc6c4C(O)N(C4CCC(=O)NC4=O)C6=O)C5)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)cc(C(C)(C)F)n1.

What is the InChIKey of N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?

The InChIKey is ZIPDBBTYZQKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H98F4N16O12/c1-84(2,89)71-35-49(34-66(96-71)77(112)98-65-37-51-47-106(102-63(51)39-69(65)120-5)55-18-16-48(17-19-55)45-104-32-28-87(29-33-104)43-53(44-87)94-60-13-7-11-57-75(60)83(118)108(81(57)116)68-21-23-73(110)100-79(68)114)40-85(3,119)58-38-62-50(36-64(58)97-76(111)61-14-8-15-70(95-61)88(90,91)92)46-105(101-62)31-9-30-103(4)54-24-26-86(27-25-54)41-52(42-86)93-59-12-6-10-56-74(59)82(117)107(80(56)115)67-20-22-72(109)99-78(67)113/h6-8,10-15,34-39,46-48,52-55,67-68,82,93-94,117,119H,9,16-33,40-45H2,1-5H3,(H,97,111)(H,98,112)(H,99,109,113)(H,100,110,114).

What are the key properties of N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?

N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide has a molecular weight of 1647.84 g/mol, XLogP of 11.63, 23 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]propyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]-2-hydroxypropyl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155449549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).