2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione

C26H25N5O5 — CID 171763144

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4(O)CCN(Cc5cccn6nccc56)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H25N5O5/c32-22-6-5-21(23(33)28-22)31-24(34)18-4-3-17(14-19(18)25(31)35)26(36)8-12-29(13-9-26)15-16-2-1-11-30-20(16)7-10-27-30/h1-4,7,10-11,14,21,36H,5-6,8-9,12-13,15H2,(H,28,32,33)
InChIKeyCXTAFAYPRHSHMX-UHFFFAOYSA-N
MW487.52 g/mol
LogP1.22
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione (PubChem CID 171763144) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
PubChem CID171763144
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4(O)CCN(Cc5cccn6nccc56)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H25N5O5/c32-22-6-5-21(23(33)28-22)31-24(34)18-4-3-17(14-19(18)25(31)35)26(36)8-12-29(13-9-26)15-16-2-1-11-30-20(16)7-10-27-30/h1-4,7,10-11,14,21,36H,5-6,8-9,12-13,15H2,(H,28,32,33)
InChIKeyCXTAFAYPRHSHMX-UHFFFAOYSA-N
XLogP1.22
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105885
5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166105835
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxypiperidin-4-yl]isoindole-1,3-dione
CID 166105729
5-[1-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166105754
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 166105733
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105752
5-(1-benzyl-4-hydroxy-2-methylpiperidin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 170694205
1-[[2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carbonitrile
CID 167294327
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694202
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105732
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 174262156

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione (CID 171763144) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(C4(O)CCN(Cc5cccn6nccc56)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is CXTAFAYPRHSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c32-22-6-5-21(23(33)28-22)31-24(34)18-4-3-17(14-19(18)25(31)35)26(36)8-12-29(13-9-26)15-16-2-1-11-30-20(16)7-10-27-30/h1-4,7,10-11,14,21,36H,5-6,8-9,12-13,15H2,(H,28,32,33).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 487.52 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 171763144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).