3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H26FN5O4 — CID 166469334

About 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166469334) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 166469334
• Molecular Formula: C25H26FN5O4
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OC4CCCC4N4CC(c5ncc(F)cn5)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H26FN5O4/c26-16-9-27-23(28-10-16)15-11-30(12-15)19-2-1-3-21(19)35-17-4-5-18-14(8-17)13-31(25(18)34)20-6-7-22(32)29-24(20)33/h4-5,8-10,15,19-21H,1-3,6-7,11-13H2,(H,29,32,33)
• InChIKey: YESNGICPVDOOCG-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166469334) is 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCCC4N4CC(c5ncc(F)cn5)C4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is YESNGICPVDOOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c26-16-9-27-23(28-10-16)15-11-30(12-15)19-2-1-3-21(19)35-17-4-5-18-14(8-17)13-31(25(18)34)20-6-7-22(32)29-24(20)33/h4-5,8-10,15,19-21H,1-3,6-7,11-13H2,(H,29,32,33).

What are the key properties of 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 479.51 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[3-(5-fluoropyrimidin-2-yl)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166469334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).