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

C46H51F3N8O6 — CID 167375502

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

N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167375502) has the molecular formula C46H51F3N8O6 and a molecular weight of 868.96 g/mol. Its IUPAC name is N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 167375502
• Molecular Formula: C46H51F3N8O6
• Molecular Weight: 868.96 g/mol
• Exact Mass: 868.39
• IUPAC Name: N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(CCNc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)c(C)c2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C46H51F3N8O6/c1-26-31-21-35(52-41(59)33-7-4-8-38(51-33)46(47,48)49)37(63-2)22-34(31)54-57(26)29-11-9-27(10-12-29)25-55-19-16-45(17-20-55)23-28(24-45)15-18-50-32-6-3-5-30-40(32)44(62)56(43(30)61)36-13-14-39(58)53-42(36)60/h3-8,21-22,27-29,36,50H,9-20,23-25H2,1-2H3,(H,52,59)(H,53,58,60)
• InChIKey: JMVXPLVRVKERPQ-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 167.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.96
LogP ≤ 5	7.15
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 N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167375502) is N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(CCNc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)c(C)c2cc1NC(=O)c1cccc(C(F)(F)F)n1.

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

The InChIKey is JMVXPLVRVKERPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51F3N8O6/c1-26-31-21-35(52-41(59)33-7-4-8-38(51-33)46(47,48)49)37(63-2)22-34(31)54-57(26)29-11-9-27(10-12-29)25-55-19-16-45(17-20-55)23-28(24-45)15-18-50-32-6-3-5-30-40(32)44(62)56(43(30)61)36-13-14-39(58)53-42(36)60/h3-8,21-22,27-29,36,50H,9-20,23-25H2,1-2H3,(H,52,59)(H,53,58,60).

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

N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 868.96 g/mol, XLogP of 7.15, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxy-3-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167375502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).