N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C44H47F3N8O7 — CID 155449072

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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449072) has the molecular formula C44H47F3N8O7 and a molecular weight of 856.90 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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155449072
• Molecular Formula: C44H47F3N8O7
• Molecular Weight: 856.90 g/mol
• Exact Mass: 856.35
• 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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)(O)c1cc2nc(N3CCC(CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)oc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C44H47F3N8O7/c1-42(2,61)27-19-31-33(20-30(27)50-37(57)29-7-4-8-34(49-29)44(45,46)47)62-41(51-31)54-15-11-24(12-16-54)23-53-17-13-43(14-18-53)21-25(22-43)48-28-6-3-5-26-36(28)40(60)55(39(26)59)32-9-10-35(56)52-38(32)58/h3-8,19-20,24-25,32,48,61H,9-18,21-23H2,1-2H3,(H,50,57)(H,52,56,58)
• InChIKey: FZSLHMNYRRSSNR-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 190.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.90
LogP ≤ 5	5.70
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 N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449072) 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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nc(N3CCC(CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)oc2cc1NC(=O)c1cccc(C(F)(F)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is FZSLHMNYRRSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47F3N8O7/c1-42(2,61)27-19-31-33(20-30(27)50-37(57)29-7-4-8-34(49-29)44(45,46)47)62-41(51-31)54-15-11-24(12-16-54)23-53-17-13-43(14-18-53)21-25(22-43)48-28-6-3-5-26-36(28)40(60)55(39(26)59)32-9-10-35(56)52-38(32)58/h3-8,19-20,24-25,32,48,61H,9-18,21-23H2,1-2H3,(H,50,57)(H,52,56,58).

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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 856.90 g/mol, XLogP of 5.70, 9 rotatable bonds, 4 hydrogen bond donors, and 12 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]piperidin-1-yl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).