2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione

C39H41N7O7 — CID 174209527

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione (PubChem CID 174209527) has the molecular formula C39H41N7O7 and a molecular weight of 719.80 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione
• PubChem CID: 174209527
• Molecular Formula: C39H41N7O7
• Molecular Weight: 719.80 g/mol
• Exact Mass: 719.31
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione
• SMILES: Cc1cc(Nc2ccc3nc(OC4CC(OC5CCN(CCCOc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)ccc3n2)ccn1
• InChI: InChI=1S/C39H41N7O7/c1-23-19-24(11-14-40-23)41-34-8-5-32-31(42-34)6-10-36(43-32)53-28-20-27(21-28)52-25-12-16-45(17-13-25)15-2-18-51-26-3-4-29-30(22-26)39(50)46(38(29)49)33-7-9-35(47)44-37(33)48/h3-6,8,10-11,14,19,22,25,27-28,33H,2,7,9,12-13,15-18,20-21H2,1H3,(H,40,41,42)(H,44,47,48)
• InChIKey: LXHVGTHRKAAPAS-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 165.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.80
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione (CID 174209527) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione is Cc1cc(Nc2ccc3nc(OC4CC(OC5CCN(CCCOc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)ccc3n2)ccn1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione?

The InChIKey is LXHVGTHRKAAPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N7O7/c1-23-19-24(11-14-40-23)41-34-8-5-32-31(42-34)6-10-36(43-32)53-28-20-27(21-28)52-25-12-16-45(17-13-25)15-2-18-51-26-3-4-29-30(22-26)39(50)46(38(29)49)33-7-9-35(47)44-37(33)48/h3-6,8,10-11,14,19,22,25,27-28,33H,2,7,9,12-13,15-18,20-21H2,1H3,(H,40,41,42)(H,44,47,48).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione has a molecular weight of 719.80 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[(2-methyl-4-pyridinyl)amino]-1,5-naphthyridin-2-yl]oxy]cyclobutyl]oxypiperidin-1-yl]propoxy]isoindole-1,3-dione is sourced from PubChem (CID 174209527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).