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

C46H51F2N7O6 — CID 163469549

About 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide (PubChem CID 163469549) has the molecular formula C46H51F2N7O6 and a molecular weight of 835.95 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 163469549
• Molecular Formula: C46H51F2N7O6
• Molecular Weight: 835.95 g/mol
• Exact Mass: 835.39
• IUPAC Name: 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(CCc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C46H51F2N7O6/c1-45(47,48)38-8-4-7-33(49-38)41(57)50-35-21-30-26-54(52-34(30)22-37(35)61-2)31-13-10-27(11-14-31)25-53-19-17-46(18-20-53)23-28(24-46)9-12-29-5-3-6-32-40(29)44(60)55(43(32)59)36-15-16-39(56)51-42(36)58/h3-8,21-22,26-28,31,36H,9-20,23-25H2,1-2H3,(H,50,57)(H,51,56,58)
• InChIKey: BVKWZPNYEOAIPJ-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 155.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.95
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide (CID 163469549) is 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(CCc4cccc6c4C(=O)N(C4CCC(=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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide?

The InChIKey is BVKWZPNYEOAIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51F2N7O6/c1-45(47,48)38-8-4-7-33(49-38)41(57)50-35-21-30-26-54(52-34(30)22-37(35)61-2)31-13-10-27(11-14-31)25-53-19-17-46(18-20-53)23-28(24-46)9-12-29-5-3-6-32-40(29)44(60)55(43(32)59)36-15-16-39(56)51-42(36)58/h3-8,21-22,26-28,31,36H,9-20,23-25H2,1-2H3,(H,50,57)(H,51,56,58).

What are the key properties of 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide has a molecular weight of 835.95 g/mol, XLogP of 7.06, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 163469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).