2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione

C26H24N6O4 — CID 170548102

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(n5cc(-c6ccccn6)cn5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H24N6O4/c33-23-7-6-22(24(34)30-23)32-25(35)19-5-4-17(11-20(19)26(32)36)28-12-15-9-18(10-15)31-14-16(13-29-31)21-3-1-2-8-27-21/h1-5,8,11,13-15,18,22,28H,6-7,9-10,12H2,(H,30,33,34)
InChIKeyFRZJLDQJIDBXHQ-UHFFFAOYSA-N
MW484.52 g/mol
LogP2.41
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione (PubChem CID 170548102) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione
PubChem CID170548102
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(n5cc(-c6ccccn6)cn5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H24N6O4/c33-23-7-6-22(24(34)30-23)32-25(35)19-5-4-17(11-20(19)26(32)36)28-12-15-9-18(10-15)31-14-16(13-29-31)21-3-1-2-8-27-21/h1-5,8,11,13-15,18,22,28H,6-7,9-10,12H2,(H,30,33,34)
InChIKeyFRZJLDQJIDBXHQ-UHFFFAOYSA-N
XLogP2.41
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 52.41
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-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
CID 170548004
2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
CID 166993575
5-[[3-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548317
2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(oxan-4-ylamino)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
CID 166994073
3-[1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]cyclobutyl]pyrazol-4-yl]quinoxaline-6-carbonitrile
CID 166994151
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-(4-quinoxalin-2-ylpyrazol-1-yl)spiro[3.3]heptan-6-yl]ethylamino]isoindole-1,3-dione
CID 170548286
2-(2,6-dioxopiperidin-3-yl)-5-[2-[[2-(4-quinoxalin-2-ylpyrazol-1-yl)cyclopropyl]methylamino]ethylamino]isoindole-1,3-dione
CID 170548240
2-(2,6-dioxopiperidin-3-yl)-5-[[4-[(4-quinoxalin-2-ylpyrazol-1-yl)methyl]cyclohexyl]methylamino]isoindole-1,3-dione
CID 170548248
5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548065
5-[3-[3-[4-[5-(azetidin-3-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548062
5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548002
2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(6-morpholin-4-ylquinoxalin-2-yl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
CID 166993469

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione (CID 170548102) is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCC4CC(n5cc(-c6ccccn6)cn5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione?
The InChIKey is FRZJLDQJIDBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c33-23-7-6-22(24(34)30-23)32-25(35)19-5-4-17(11-20(19)26(32)36)28-12-15-9-18(10-15)31-14-16(13-29-31)21-3-1-2-8-27-21/h1-5,8,11,13-15,18,22,28H,6-7,9-10,12H2,(H,30,33,34).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione has a molecular weight of 484.52 g/mol, XLogP of 2.41, 6 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-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 170548102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).