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

C27H26N6O4 — CID 170548065

IUPAC5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(n5nc(C6CC6)c6cccnc65)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C27H26N6O4/c34-22-8-7-21(25(35)30-22)32-26(36)18-6-5-16(12-20(18)27(32)37)29-13-14-10-17(11-14)33-24-19(2-1-9-28-24)23(31-33)15-3-4-15/h1-2,5-6,9,12,14-15,17,21,29H,3-4,7-8,10-11,13H2,(H,30,34,35)
InChIKeyYJVYDGPBOFULMH-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.77
Rot. Bonds6

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

5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170548065) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID170548065
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Name5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC(n5nc(C6CC6)c6cccnc65)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C27H26N6O4/c34-22-8-7-21(25(35)30-22)32-26(36)18-6-5-16(12-20(18)27(32)37)29-13-14-10-17(11-14)33-24-19(2-1-9-28-24)23(31-33)15-3-4-15/h1-2,5-6,9,12,14-15,17,21,29H,3-4,7-8,10-11,13H2,(H,30,34,35)
InChIKeyYJVYDGPBOFULMH-UHFFFAOYSA-N
XLogP2.77
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.77
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

5-[[3-(3-cyclopropylindazol-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166993610
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
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methylamino]isoindole-1,3-dione
CID 170548102
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-(5-piperazin-1-yl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548275
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
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-[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
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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170548065) is 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCC4CC(n5nc(C6CC6)c6cccnc65)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is YJVYDGPBOFULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c34-22-8-7-21(25(35)30-22)32-26(36)18-6-5-16(12-20(18)27(32)37)29-13-14-10-17(11-14)33-24-19(2-1-9-28-24)23(31-33)15-3-4-15/h1-2,5-6,9,12,14-15,17,21,29H,3-4,7-8,10-11,13H2,(H,30,34,35).
What are the key properties of 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 498.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170548065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).