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

C28H27N5O4 — CID 166993610

IUPAC5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(n5nc(C6CC6)c6ccccc65)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H27N5O4/c34-24-10-9-23(26(35)30-24)32-27(36)19-8-7-17(13-21(19)28(32)37)29-14-15-11-18(12-15)33-22-4-2-1-3-20(22)25(31-33)16-5-6-16/h1-4,7-8,13,15-16,18,23,29H,5-6,9-12,14H2,(H,30,34,35)
InChIKeyIILXZGYRDBIOTJ-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.38
Rot. Bonds6

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

5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 166993610) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID166993610
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC Name5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(n5nc(C6CC6)c6ccccc65)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H27N5O4/c34-24-10-9-23(26(35)30-24)32-27(36)19-8-7-17(13-21(19)28(32)37)29-14-15-11-18(12-15)33-22-4-2-1-3-20(22)25(31-33)16-5-6-16/h1-4,7-8,13,15-16,18,23,29H,5-6,9-12,14H2,(H,30,34,35)
InChIKeyIILXZGYRDBIOTJ-UHFFFAOYSA-N
XLogP3.38
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-cyclopropyl-4-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548002
5-[[3-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548317
5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548175
3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 175333441
5-[[3-[3-cyclopropyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176550410
5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155438872
5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548106
5-[[3-[3-cyclopropyl-4-(5-piperazin-1-yl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548275
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione
CID 170548102
tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate
CID 166994620
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 166993610) is 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCC4CC(n5nc(C6CC6)c6ccccc65)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is IILXZGYRDBIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c34-24-10-9-23(26(35)30-24)32-27(36)19-8-7-17(13-21(19)28(32)37)29-14-15-11-18(12-15)33-22-4-2-1-3-20(22)25(31-33)16-5-6-16/h1-4,7-8,13,15-16,18,23,29H,5-6,9-12,14H2,(H,30,34,35).
What are the key properties of 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 497.56 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 166993610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).