3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167726226) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	167726226
Molecular Formula	C24H27N5O3
Molecular Weight	433.51 g/mol
Exact Mass	433.21
IUPAC Name	3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	O=C1CCC(N2Cc3cc(CN4CCn5cccc5C45CCNC5)ccc3C2=O)C(=O)N1
InChI	InChI=1S/C24H27N5O3/c30-21-6-5-19(22(31)26-21)29-14-17-12-16(3-4-18(17)23(29)32)13-28-11-10-27-9-1-2-20(27)24(28)7-8-25-15-24/h1-4,9,12,19,25H,5-8,10-11,13-15H2,(H,26,30,31)
InChIKey	XZUNDZJILBQZOZ-UHFFFAOYSA-N
XLogP	0.95
TPSA	86.68 Å²
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	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167726226) is 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CN4CCn5cccc5C45CCNC5)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is XZUNDZJILBQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-21-6-5-19(22(31)26-21)29-14-17-12-16(3-4-18(17)23(29)32)13-28-11-10-27-9-1-2-20(27)24(28)7-8-25-15-24/h1-4,9,12,19,25H,5-8,10-11,13-15H2,(H,26,30,31).

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

3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 433.51 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-pyrrolidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167726226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).