N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C42H43F3N10O8 — CID 170031922

About N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170031922) has the molecular formula C42H43F3N10O8 and a molecular weight of 872.86 g/mol. Its IUPAC name is N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 170031922
• Molecular Formula: C42H43F3N10O8
• Molecular Weight: 872.86 g/mol
• Exact Mass: 872.32
• IUPAC Name: N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)(O)c1cc2nn(CCN3CCN(CC(=O)NC4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C42H43F3N10O8/c1-41(2,63)26-20-28-23(19-29(26)48-36(58)27-6-4-8-32(47-27)42(43,44)45)21-54(50-28)18-17-52-15-16-53(40(52)62)22-34(57)46-24-11-13-51(14-12-24)30-7-3-5-25-35(30)39(61)55(38(25)60)31-9-10-33(56)49-37(31)59/h3-8,19-21,24,31,63H,9-18,22H2,1-2H3,(H,46,57)(H,48,58)(H,49,56,59)
• InChIKey: XCYNXEFLSYRAQR-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 219.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.86
LogP ≤ 5	2.85
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-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 170031922) is N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCN3CCN(CC(=O)NC4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is XCYNXEFLSYRAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43F3N10O8/c1-41(2,63)26-20-28-23(19-29(26)48-36(58)27-6-4-8-32(47-27)42(43,44)45)21-54(50-28)18-17-52-15-16-53(40(52)62)22-34(57)46-24-11-13-51(14-12-24)30-7-3-5-25-35(30)39(61)55(38(25)60)31-9-10-33(56)49-37(31)59/h3-8,19-21,24,31,63H,9-18,22H2,1-2H3,(H,46,57)(H,48,58)(H,49,56,59).

What are the key properties of N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 872.86 g/mol, XLogP of 2.85, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170031922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).