6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide

C47H54F2N8O7 — CID 167375588

About 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 167375588) has the molecular formula C47H54F2N8O7 and a molecular weight of 880.99 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 167375588
• Molecular Formula: C47H54F2N8O7
• Molecular Weight: 880.99 g/mol
• Exact Mass: 880.41
• IUPAC Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide
• SMILES: CC(C)(O)COc1cc2nn(C3CCC(CN4CC5(CC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C47H54F2N8O7/c1-45(2,63)26-64-37-19-34-29(18-35(37)52-41(59)33-8-5-9-38(51-33)46(3,48)49)23-56(54-34)30-12-10-27(11-13-30)22-55-24-47(25-55)20-28(21-47)16-17-50-32-7-4-6-31-40(32)44(62)57(43(31)61)36-14-15-39(58)53-42(36)60/h4-9,18-19,23,27-28,30,36,50,63H,10-17,20-22,24-26H2,1-3H3,(H,52,59)(H,53,58,60)
• InChIKey: ORRGSKBWSTYALK-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 188.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	880.99
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide (CID 167375588) is 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide is CC(C)(O)COc1cc2nn(C3CCC(CN4CC5(CC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)n1.

What is the InChIKey of 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide?

The InChIKey is ORRGSKBWSTYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54F2N8O7/c1-45(2,63)26-64-37-19-34-29(18-35(37)52-41(59)33-8-5-9-38(51-33)46(3,48)49)23-56(54-34)30-12-10-27(11-13-30)22-55-24-47(25-55)20-28(21-47)16-17-50-32-7-4-6-31-40(32)44(62)57(43(31)61)36-14-15-39(58)53-42(36)60/h4-9,18-19,23,27-28,30,36,50,63H,10-17,20-22,24-26H2,1-3H3,(H,52,59)(H,53,58,60).

What are the key properties of 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide?

6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 880.99 g/mol, XLogP of 6.29, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,1-difluoroethyl)-N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167375588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).