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]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C45H48F3N7O7 — CID 155449304

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]-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]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449304) has the molecular formula C45H48F3N7O7 and a molecular weight of 855.91 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]-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]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155449304
• Molecular Formula: C45H48F3N7O7
• Molecular Weight: 855.91 g/mol
• Exact Mass: 855.36
• 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]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)(O)c1cc2nc(C3CCC(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/C45H48F3N7O7/c1-43(2,61)28-19-32-34(20-31(28)51-38(57)30-7-4-8-35(50-30)45(46,47)48)62-40(52-32)25-11-9-24(10-12-25)23-54-17-15-44(16-18-54)21-26(22-44)49-29-6-3-5-27-37(29)42(60)55(41(27)59)33-13-14-36(56)53-39(33)58/h3-8,19-20,24-26,33,49,61H,9-18,21-23H2,1-2H3,(H,51,57)(H,53,56,58)
• InChIKey: CWKQXXYGUCMKPZ-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 187.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.91
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	4
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]-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]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449304) 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]-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]cyclohexyl]-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]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nc(C3CCC(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]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is CWKQXXYGUCMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48F3N7O7/c1-43(2,61)28-19-32-34(20-31(28)51-38(57)30-7-4-8-35(50-30)45(46,47)48)62-40(52-32)25-11-9-24(10-12-25)23-54-17-15-44(16-18-54)21-26(22-44)49-29-6-3-5-27-37(29)42(60)55(41(27)59)33-13-14-36(56)53-39(33)58/h3-8,19-20,24-26,33,49,61H,9-18,21-23H2,1-2H3,(H,51,57)(H,53,56,58).

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]cyclohexyl]-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]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 855.91 g/mol, XLogP of 6.75, 9 rotatable bonds, 4 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]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).