6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide

C₄₆H₅₂F₂N₈O₆ — CID 155438861

About 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide (PubChem CID 155438861) has the molecular formula C₄₆H₅₂F₂N₈O₆ and a molecular weight of 850.97 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 155438861
• Molecular Formula: C₄₆H₅₂F₂N₈O₆
• Molecular Weight: 850.97 g/mol
• Exact Mass: 850.40
• IUPAC Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(CCNc4cccc6c4C(=O)N([C@@H]4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C46H52F2N8O6/c1-45(47,48)38-8-4-7-33(50-38)41(58)51-35-21-29-26-55(53-34(29)22-37(35)62-2)30-11-9-27(10-12-30)25-54-19-16-46(17-20-54)23-28(24-46)15-18-49-32-6-3-5-31-40(32)44(61)56(43(31)60)36-13-14-39(57)52-42(36)59/h3-8,21-22,26-28,30,36,49H,9-20,23-25H2,1-2H3,(H,51,58)(H,52,57,59)/t27?,30?,36-/m1/s1
• InChIKey: XMUGELSEEJWFAK-ADWWZLGOSA-N
• XLogP: 6.93
• TPSA: 167.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.97
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	3
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 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide (CID 155438861) is 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(CCNc4cccc6c4C(=O)N([C@@H]4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)n1.

What is the InChIKey of 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide?

The InChIKey is XMUGELSEEJWFAK-ADWWZLGOSA-N. The full InChI is InChI=1S/C46H52F2N8O6/c1-45(47,48)38-8-4-7-33(50-38)41(58)51-35-21-29-26-55(53-34(29)22-37(35)62-2)30-11-9-27(10-12-30)25-54-19-16-46(17-20-54)23-28(24-46)15-18-49-32-6-3-5-31-40(32)44(61)56(43(31)60)36-13-14-39(57)52-42(36)59/h3-8,21-22,26-28,30,36,49H,9-20,23-25H2,1-2H3,(H,51,58)(H,52,57,59)/t27?,30?,36-/m1/s1.

What are the key properties of 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide?

6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide has a molecular weight of 850.97 g/mol, XLogP of 6.93, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155438861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155438861 — identifiers, structure, computed properties (public domain)

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