2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione

C22H24N6O4 — CID 167741770

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CNc4[nH]ncc4C4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H24N6O4/c29-18-4-3-17(20(30)26-18)28-21(31)14-2-1-12(9-15(14)22(28)32)10-24-19-16(11-25-27-19)13-5-7-23-8-6-13/h1-2,9,11,13,17,23H,3-8,10H2,(H2,24,25,27)(H,26,29,30)
InChIKeyWWQBACGUDGCLQP-UHFFFAOYSA-N
MW436.47 g/mol
LogP0.89
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione (PubChem CID 167741770) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione
PubChem CID167741770
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CNc4[nH]ncc4C4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H24N6O4/c29-18-4-3-17(20(30)26-18)28-21(31)14-2-1-12(9-15(14)22(28)32)10-24-19-16(11-25-27-19)13-5-7-23-8-6-13/h1-2,9,11,13,17,23H,3-8,10H2,(H2,24,25,27)(H,26,29,30)
InChIKeyWWQBACGUDGCLQP-UHFFFAOYSA-N
XLogP0.89
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione
CID 167718274
2-(2,6-dioxopiperidin-3-yl)-5-[(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylamino)methyl]isoindole-1,3-dione
CID 167731006
2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione
CID 167716432
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R)-pyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167717864
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-(2,6-dioxopiperidin-3-yl)-5-[[[(4R,5R)-5-phenylazepan-4-yl]amino]methyl]isoindole-1,3-dione
CID 167730215
2-(2,6-dioxopiperidin-3-yl)-5-[[(5-phenylazepan-4-yl)amino]methyl]isoindole-1,3-dione
CID 167741307
5-[(6-azaspiro[2.5]octan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737408
2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione
CID 167728092
5-[[(4-amino-2-methylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737722
5-[[[5-(aminomethyl)-1,2-oxazol-3-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724422
5-[[(2-amino-3-pyridinyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733333

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione (CID 167741770) is 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CNc4[nH]ncc4C4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione?
The InChIKey is WWQBACGUDGCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c29-18-4-3-17(20(30)26-18)28-21(31)14-2-1-12(9-15(14)22(28)32)10-24-19-16(11-25-27-19)13-5-7-23-8-6-13/h1-2,9,11,13,17,23H,3-8,10H2,(H2,24,25,27)(H,26,29,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione has a molecular weight of 436.47 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167741770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).