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

C38H37F2N7O6 — CID 165371175

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OCCC4CCN(CC5CC(Oc6cc(Nc7cc(F)c8ncccc8n7)c(F)cn6)C5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C38H37F2N7O6/c39-27-17-32(43-29-2-1-10-41-35(27)29)44-30-18-34(42-19-28(30)40)53-24-14-22(15-24)20-46-11-7-21(8-12-46)9-13-52-23-3-4-25-26(16-23)38(51)47(37(25)50)31-5-6-33(48)45-36(31)49/h1-4,10,16-19,21-22,24,31H,5-9,11-15,20H2,(H,42,43,44)(H,45,48,49)
InChIKeyZCYNMDGKTLLZHJ-UHFFFAOYSA-N
MW725.75 g/mol
LogP4.79
Rot. Bonds11

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione (PubChem CID 165371175) has the molecular formula C38H37F2N7O6 and a molecular weight of 725.75 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione
PubChem CID165371175
Molecular FormulaC38H37F2N7O6
Molecular Weight725.75 g/mol
Exact Mass725.28
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OCCC4CCN(CC5CC(Oc6cc(Nc7cc(F)c8ncccc8n7)c(F)cn6)C5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C38H37F2N7O6/c39-27-17-32(43-29-2-1-10-41-35(27)29)44-30-18-34(42-19-28(30)40)53-24-14-22(15-24)20-46-11-7-21(8-12-46)9-13-52-23-3-4-25-26(16-23)38(51)47(37(25)50)31-5-6-33(48)45-36(31)49/h1-4,10,16-19,21-22,24,31H,5-9,11-15,20H2,(H,42,43,44)(H,45,48,49)
InChIKeyZCYNMDGKTLLZHJ-UHFFFAOYSA-N
XLogP4.79
TPSA155.95 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.75
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]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-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione (CID 165371175) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCC4CCN(CC5CC(Oc6cc(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-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione?
The InChIKey is ZCYNMDGKTLLZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F2N7O6/c39-27-17-32(43-29-2-1-10-41-35(27)29)44-30-18-34(42-19-28(30)40)53-24-14-22(15-24)20-46-11-7-21(8-12-46)9-13-52-23-3-4-25-26(16-23)38(51)47(37(25)50)31-5-6-33(48)45-36(31)49/h1-4,10,16-19,21-22,24,31H,5-9,11-15,20H2,(H,42,43,44)(H,45,48,49).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione has a molecular weight of 725.75 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[1-[[3-[[5-fluoro-4-[(4-fluoro-1,5-naphthyridin-2-yl)amino]-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 165371175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).