4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H30N6O4 — CID 155469915

IUPAC4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CCC6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C26H30N6O4/c33-22-8-7-21(24(34)29-22)32-25(35)19-5-2-6-20(23(19)26(32)36)27-13-16-14-28-31(15-16)18-9-11-30(12-10-18)17-3-1-4-17/h2,5-6,14-15,17-18,21,27H,1,3-4,7-13H2,(H,29,33,34)
InChIKeyQTNSXOGMXSFOSE-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.09
Rot. Bonds6

About 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155469915) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID155469915
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CCC6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C26H30N6O4/c33-22-8-7-21(24(34)29-22)32-25(35)19-5-2-6-20(23(19)26(32)36)27-13-16-14-28-31(15-16)18-9-11-30(12-10-18)17-3-1-4-17/h2,5-6,14-15,17-18,21,27H,1,3-4,7-13H2,(H,29,33,34)
InChIKeyQTNSXOGMXSFOSE-UHFFFAOYSA-N
XLogP2.09
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.09
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)-4-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155470178
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469813
4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 139535673
4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155470019
N-tert-butyl-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxamide
CID 139535493
4-[[1-[1-(1-cyclobutyl-3-cyclopropylprop-2-ynyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155673267
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(3-fluorocyclobut-2-ene-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469828
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469758
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 146884755
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(1-ethynylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469664
(1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 155469910
4-[[1-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469972

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 155469915) is 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CCC6)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is QTNSXOGMXSFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c33-22-8-7-21(24(34)29-22)32-25(35)19-5-2-6-20(23(19)26(32)36)27-13-16-14-28-31(15-16)18-9-11-30(12-10-18)17-3-1-4-17/h2,5-6,14-15,17-18,21,27H,1,3-4,7-13H2,(H,29,33,34).
What are the key properties of 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 490.56 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155469915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).