3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H25N5O4 — CID 166469512

About 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166469512) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 166469512
• Molecular Formula: C25H25N5O4
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.19
• IUPAC Name: 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OCCN4CC(c5ccc6[nH]ncc6c5)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H25N5O4/c31-23-6-5-22(24(32)27-23)30-14-17-10-19(2-3-20(17)25(30)33)34-8-7-29-12-18(13-29)15-1-4-21-16(9-15)11-26-28-21/h1-4,9-11,18,22H,5-8,12-14H2,(H,26,28)(H,27,31,32)
• InChIKey: JRFVCNMHGHZEQV-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166469512) is 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OCCN4CC(c5ccc6[nH]ncc6c5)C4)ccc3C2=O)C(=O)N1.

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

The InChIKey is JRFVCNMHGHZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c31-23-6-5-22(24(32)27-23)30-14-17-10-19(2-3-20(17)25(30)33)34-8-7-29-12-18(13-29)15-1-4-21-16(9-15)11-26-28-21/h1-4,9-11,18,22H,5-8,12-14H2,(H,26,28)(H,27,31,32).

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

3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 459.51 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[3-(1H-indazol-5-yl)azetidin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166469512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).