2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione

C39H40F2N8O6 — CID 165370956

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CN(c6cc(Nc7cc(F)c8ncccc8n7)c(F)cn6)C5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H40F2N8O6/c40-28-18-33(44-30-5-4-12-42-36(28)30)45-31-19-34(43-20-29(31)41)48-21-25(22-48)55-23-10-14-47(15-11-23)13-2-1-3-16-54-24-6-7-26-27(17-24)39(53)49(38(26)52)32-8-9-35(50)46-37(32)51/h4-7,12,17-20,23,25,32H,1-3,8-11,13-16,21-22H2,(H,43,44,45)(H,46,50,51)
InChIKeyQGTXFYURZDBTRX-UHFFFAOYSA-N
MW754.80 g/mol
LogP4.37
Rot. Bonds13

About 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione (PubChem CID 165370956) has the molecular formula C39H40F2N8O6 and a molecular weight of 754.80 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione
PubChem CID165370956
Molecular FormulaC39H40F2N8O6
Molecular Weight754.80 g/mol
Exact Mass754.30
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CN(c6cc(Nc7cc(F)c8ncccc8n7)c(F)cn6)C5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H40F2N8O6/c40-28-18-33(44-30-5-4-12-42-36(28)30)45-31-19-34(43-20-29(31)41)48-21-25(22-48)55-23-10-14-47(15-11-23)13-2-1-3-16-54-24-6-7-26-27(17-24)39(53)49(38(26)52)32-8-9-35(50)46-37(32)51/h4-7,12,17-20,23,25,32H,1-3,8-11,13-16,21-22H2,(H,43,44,45)(H,46,50,51)
InChIKeyQGTXFYURZDBTRX-UHFFFAOYSA-N
XLogP4.37
TPSA159.19 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.80
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione (CID 165370956) is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CN(c6cc(Nc7cc(F)c8ncccc8n7)c(F)cn6)C5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?
The InChIKey is QGTXFYURZDBTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40F2N8O6/c40-28-18-33(44-30-5-4-12-42-36(28)30)45-31-19-34(43-20-29(31)41)48-21-25(22-48)55-23-10-14-47(15-11-23)13-2-1-3-16-54-24-6-7-26-27(17-24)39(53)49(38(26)52)32-8-9-35(50)46-37(32)51/h4-7,12,17-20,23,25,32H,1-3,8-11,13-16,21-22H2,(H,43,44,45)(H,46,50,51).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione has a molecular weight of 754.80 g/mol, XLogP of 4.37, 13 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-[5-[4-[1-[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione is sourced from PubChem (CID 165370956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).