3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

C27H27N5O4 — CID 169242313

IUPAC3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4[nH]ncc34)CC2)C(=O)N1
InChIInChI=1S/C27H27N5O4/c33-24-5-4-22(25(34)29-24)32-14-17-10-20-23(11-18(17)26(32)35)36-15-27(20)6-8-31(9-7-27)13-16-2-1-3-21-19(16)12-28-30-21/h1-3,10-12,22H,4-9,13-15H2,(H,28,30)(H,29,33,34)
InChIKeyPLGHZNFVOJMHNX-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.25
Rot. Bonds3

About 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (PubChem CID 169242313) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
PubChem CID169242313
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4[nH]ncc34)CC2)C(=O)N1
InChIInChI=1S/C27H27N5O4/c33-24-5-4-22(25(34)29-24)32-14-17-10-20-23(11-18(17)26(32)35)36-15-27(20)6-8-31(9-7-27)13-16-2-1-3-21-19(16)12-28-30-21/h1-3,10-12,22H,4-9,13-15H2,(H,28,30)(H,29,33,34)
InChIKeyPLGHZNFVOJMHNX-UHFFFAOYSA-N
XLogP2.25
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242431
3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242310
3-[1'-(1H-indazol-4-ylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201451
3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242357
3-[1'-(1H-indol-7-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242371
3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242404
3-[7-oxo-1'-[(4-phenylthiophen-2-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242351
3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202856
3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201380
3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170278986
3-[3-oxo-7-[5-[5-(trifluoromethyl)spiro[2H-furo[2,3-c]pyridine-3,4'-piperidine]-1'-yl]pentyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178078007
3-[1'-(isoquinolin-4-ylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201377

Frequently Asked Questions

What is the IUPAC name of 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (CID 169242313) is 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4[nH]ncc34)CC2)C(=O)N1.
What is the InChIKey of 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The InChIKey is PLGHZNFVOJMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c33-24-5-4-22(25(34)29-24)32-14-17-10-20-23(11-18(17)26(32)35)36-15-27(20)6-8-31(9-7-27)13-16-2-1-3-21-19(16)12-28-30-21/h1-3,10-12,22H,4-9,13-15H2,(H,28,30)(H,29,33,34).
What are the key properties of 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione has a molecular weight of 485.54 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 169242313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).