1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide

C42H39F3N8O5 — CID 162681743

About 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide

1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 162681743) has the molecular formula C42H39F3N8O5 and a molecular weight of 792.82 g/mol. Its IUPAC name is 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 162681743
• Molecular Formula: C42H39F3N8O5
• Molecular Weight: 792.82 g/mol
• Exact Mass: 792.30
• IUPAC Name: 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide
• SMILES: N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C#CCN4CC5(CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)cn3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C42H39F3N8O5/c43-42(44,45)33-21-30(5-4-28(33)22-46)51-16-11-27(12-17-51)37(55)48-35-9-3-26(23-47-35)2-1-15-50-24-41(25-50)13-18-52(19-14-41)29-6-7-31-32(20-29)40(58)53(39(31)57)34-8-10-36(54)49-38(34)56/h3-7,9,20-21,23,27,34H,8,10-19,24-25H2,(H,47,48,55)(H,49,54,56)
• InChIKey: PLIOIXYVRNSEBJ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 159.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	792.82
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide (CID 162681743) is 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C#CCN4CC5(CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)cn3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is PLIOIXYVRNSEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39F3N8O5/c43-42(44,45)33-21-30(5-4-28(33)22-46)51-16-11-27(12-17-51)37(55)48-35-9-3-26(23-47-35)2-1-15-50-24-41(25-50)13-18-52(19-14-41)29-6-7-31-32(20-29)40(58)53(39(31)57)34-8-10-36(54)49-38(34)56/h3-7,9,20-21,23,27,34H,8,10-19,24-25H2,(H,47,48,55)(H,49,54,56).

What are the key properties of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide?

1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 792.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 162681743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).