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

C45H51FN8O6 — CID 167375729

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

N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (PubChem CID 167375729) has the molecular formula C45H51FN8O6 and a molecular weight of 818.95 g/mol. Its IUPAC name is N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
• PubChem CID: 167375729
• Molecular Formula: C45H51FN8O6
• Molecular Weight: 818.95 g/mol
• Exact Mass: 818.39
• IUPAC Name: N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1
• InChI: InChI=1S/C45H51FN8O6/c1-44(2,46)37-9-5-8-32(48-37)40(56)49-34-20-27-25-53(51-33(27)21-36(34)60-3)29-12-10-26(11-13-29)24-52-18-16-45(17-19-52)22-28(23-45)47-31-7-4-6-30-39(31)43(59)54(42(30)58)35-14-15-38(55)50-41(35)57/h4-9,20-21,25-26,28-29,35,47H,10-19,22-24H2,1-3H3,(H,49,56)(H,50,55,57)
• InChIKey: KNTJCPRUJIRVJP-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 167.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	818.95
LogP ≤ 5	6.39
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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (CID 167375729) is N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1.

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

The InChIKey is KNTJCPRUJIRVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H51FN8O6/c1-44(2,46)37-9-5-8-32(48-37)40(56)49-34-20-27-25-53(51-33(27)21-36(34)60-3)29-12-10-26(11-13-29)24-52-18-16-45(17-19-52)22-28(23-45)47-31-7-4-6-30-39(31)43(59)54(42(30)58)35-14-15-38(55)50-41(35)57/h4-9,20-21,25-26,28-29,35,47H,10-19,22-24H2,1-3H3,(H,49,56)(H,50,55,57).

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

N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide has a molecular weight of 818.95 g/mol, XLogP of 6.39, 10 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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167375729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).