3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H27N5O5 — CID 167736361

IUPAC3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CN4CCC(N5C(=O)O[C@@H]6CNC[C@@H]65)C4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H27N5O5/c29-20-5-4-17(21(30)25-20)27-12-16-13(2-1-3-15(16)22(27)31)10-26-7-6-14(11-26)28-18-8-24-9-19(18)33-23(28)32/h1-3,14,17-19,24H,4-12H2,(H,25,29,30)/t14?,17?,18-,19+/m0/s1
InChIKeyNFXFYSKTFFLZCT-SJROMKODSA-N
MW453.50 g/mol
LogP-0.19
Rot. Bonds4

About 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167736361) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167736361
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CN4CCC(N5C(=O)O[C@@H]6CNC[C@@H]65)C4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H27N5O5/c29-20-5-4-17(21(30)25-20)27-12-16-13(2-1-3-15(16)22(27)31)10-26-7-6-14(11-26)28-18-8-24-9-19(18)33-23(28)32/h1-3,14,17-19,24H,4-12H2,(H,25,29,30)/t14?,17?,18-,19+/m0/s1
InChIKeyNFXFYSKTFFLZCT-SJROMKODSA-N
XLogP-0.19
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732257
3-[7-[[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735222
3-[3-oxo-7-[(3-piperidin-4-ylpyrrolidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723587
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[7-[[3-(azetidin-3-yloxy)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733053
3-[3-oxo-7-[(2-piperidin-4-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717233
3-[7-[(3-aminopiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728297
3-[7-[[6-(hydroxymethyl)-1,4-diazepan-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730033
3-[3-oxo-7-[(3-pyrrolidin-3-ylpiperidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721734
3-[7-[[3-(aminomethyl)-4-(trifluoromethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730000
3-[7-[[4-(azocan-5-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734383
3-[7-[[4-(1-aminocyclopropyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735464

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167736361) is 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CN4CCC(N5C(=O)O[C@@H]6CNC[C@@H]65)C4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NFXFYSKTFFLZCT-SJROMKODSA-N. The full InChI is InChI=1S/C23H27N5O5/c29-20-5-4-17(21(30)25-20)27-12-16-13(2-1-3-15(16)22(27)31)10-26-7-6-14(11-26)28-18-8-24-9-19(18)33-23(28)32/h1-3,14,17-19,24H,4-12H2,(H,25,29,30)/t14?,17?,18-,19+/m0/s1.
What are the key properties of 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 453.50 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[3-[(3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167736361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).