N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C40H38F3N7O8 — CID 170032243

About N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170032243) has the molecular formula C40H38F3N7O8 and a molecular weight of 801.78 g/mol. Its IUPAC name is N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 170032243
• Molecular Formula: C40H38F3N7O8
• Molecular Weight: 801.78 g/mol
• Exact Mass: 801.27
• IUPAC Name: N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(CC(=O)N1CCC3(CC1)CCN(c1cccc4c1C(=O)N(C1CCC(=O)NC1=O)C4=O)CC3)C2=O
• InChI: InChI=1S/C40H38F3N7O8/c1-58-29-19-24-22(18-26(29)45-34(53)25-5-3-7-30(44-25)40(41,42)43)20-49(36(24)55)21-32(52)48-16-12-39(13-17-48)10-14-47(15-11-39)27-6-2-4-23-33(27)38(57)50(37(23)56)28-8-9-31(51)46-35(28)54/h2-7,18-19,28H,8-17,20-21H2,1H3,(H,45,53)(H,46,51,54)
• InChIKey: JJWZBGRWTJKLML-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 178.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	801.78
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 170032243) is N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(CC(=O)N1CCC3(CC1)CCN(c1cccc4c1C(=O)N(C1CCC(=O)NC1=O)C4=O)CC3)C2=O.

What is the InChIKey of N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is JJWZBGRWTJKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38F3N7O8/c1-58-29-19-24-22(18-26(29)45-34(53)25-5-3-7-30(44-25)40(41,42)43)20-49(36(24)55)21-32(52)48-16-12-39(13-17-48)10-14-47(15-11-39)27-6-2-4-23-33(27)38(57)50(37(23)56)28-8-9-31(51)46-35(28)54/h2-7,18-19,28H,8-17,20-21H2,1H3,(H,45,53)(H,46,51,54).

What are the key properties of N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 801.78 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170032243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).