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

C24H28N6O4 — CID 139535673

IUPAC4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)N1CC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)C1
InChIInChI=1S/C24H28N6O4/c1-24(2,3)28-12-15(13-28)29-11-14(10-26-29)9-25-17-6-4-5-16-20(17)23(34)30(22(16)33)18-7-8-19(31)27-21(18)32/h4-6,10-11,15,18,25H,7-9,12-13H2,1-3H3,(H,27,31,32)
InChIKeyDSALKGYLJHMQRC-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.55
Rot. Bonds5

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

4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 139535673) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID139535673
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)N1CC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)C1
InChIInChI=1S/C24H28N6O4/c1-24(2,3)28-12-15(13-28)29-11-14(10-26-29)9-25-17-6-4-5-16-20(17)23(34)30(22(16)33)18-7-8-19(31)27-21(18)32/h4-6,10-11,15,18,25H,7-9,12-13H2,1-3H3,(H,27,31,32)
InChIKeyDSALKGYLJHMQRC-UHFFFAOYSA-N
XLogP1.55
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.55
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
4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469915
4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469688
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
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469813
(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
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
4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155470019
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
2,2,2-trichloroethyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 155469765
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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 139535673) is 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(C)(C)N1CC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)C1.
What is the InChIKey of 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is DSALKGYLJHMQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-24(2,3)28-12-15(13-28)29-11-14(10-26-29)9-25-17-6-4-5-16-20(17)23(34)30(22(16)33)18-7-8-19(31)27-21(18)32/h4-6,10-11,15,18,25H,7-9,12-13H2,1-3H3,(H,27,31,32).
What are the key properties of 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 464.53 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 139535673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).