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

C46H51F2N7O7 — CID 155449370

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

6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide (PubChem CID 155449370) has the molecular formula C46H51F2N7O7 and a molecular weight of 851.95 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide
• PubChem CID: 155449370
• Molecular Formula: C46H51F2N7O7
• Molecular Weight: 851.95 g/mol
• Exact Mass: 851.38
• IUPAC Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide
• SMILES: COc1cc2nc(C3CCC(CN4CC5(CCC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)oc2cc1NC(=O)c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C46H51F2N7O7/c1-45(47,48)37-8-4-7-31(50-37)40(57)51-32-22-36-33(21-35(32)61-2)52-42(62-36)28-11-9-27(10-12-28)23-54-24-46(25-54)18-15-26(16-19-46)17-20-49-30-6-3-5-29-39(30)44(60)55(43(29)59)34-13-14-38(56)53-41(34)58/h3-8,21-22,26-28,34,49H,9-20,23-25H2,1-2H3,(H,51,57)(H,53,56,58)
• InChIKey: UJJUXEANQDKFJE-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 176.07 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	851.95
LogP ≤ 5	7.26
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-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide (CID 155449370) is 6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide is COc1cc2nc(C3CCC(CN4CC5(CCC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)oc2cc1NC(=O)c1cccc(C(C)(F)F)n1.

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

The InChIKey is UJJUXEANQDKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51F2N7O7/c1-45(47,48)37-8-4-7-31(50-37)40(57)51-32-22-36-33(21-35(32)61-2)52-42(62-36)28-11-9-27(10-12-28)23-54-24-46(25-54)18-15-26(16-19-46)17-20-49-30-6-3-5-29-39(30)44(60)55(43(29)59)34-13-14-38(56)53-41(34)58/h3-8,21-22,26-28,34,49H,9-20,23-25H2,1-2H3,(H,51,57)(H,53,56,58).

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

6-(1,1-difluoroethyl)-N-[2-[4-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide has a molecular weight of 851.95 g/mol, XLogP of 7.26, 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-[[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155449370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).