3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H27N5O3 — CID 167730393

About 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167730393) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167730393
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: NC1CC2(C1)c1cccn1CCN2Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C24H27N5O3/c25-17-11-24(12-17)20-2-1-7-27(20)8-9-28(24)13-15-3-4-16-14-29(23(32)18(16)10-15)19-5-6-21(30)26-22(19)31/h1-4,7,10,17,19H,5-6,8-9,11-14,25H2,(H,26,30,31)
• InChIKey: AQWKDTPGFGDCLF-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 100.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	1.08
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-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167730393) is 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC1CC2(C1)c1cccn1CCN2Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is AQWKDTPGFGDCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c25-17-11-24(12-17)20-2-1-7-27(20)8-9-28(24)13-15-3-4-16-14-29(23(32)18(16)10-15)19-5-6-21(30)26-22(19)31/h1-4,7,10,17,19H,5-6,8-9,11-14,25H2,(H,26,30,31).

What are the key properties of 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 433.51 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167730393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).