2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione

C22H24N6O4 — CID 167723892

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione
SMILESCn1nc(CNCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2c1CCNC2
InChIInChI=1S/C22H24N6O4/c1-27-16-7-8-23-10-14(16)15(26-27)11-24-9-12-3-2-4-13-19(12)22(32)28(21(13)31)17-5-6-18(29)25-20(17)30/h2-4,17,23-24H,5-11H2,1H3,(H,25,29,30)
InChIKeyJPXLSXLBKKJIHK-UHFFFAOYSA-N
MW436.47 g/mol
LogP-0.24
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione (PubChem CID 167723892) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione
PubChem CID167723892
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione
SMILESCn1nc(CNCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2c1CCNC2
InChIInChI=1S/C22H24N6O4/c1-27-16-7-8-23-10-14(16)15(26-27)11-24-9-12-3-2-4-13-19(12)22(32)28(21(13)31)17-5-6-18(29)25-20(17)30/h2-4,17,23-24H,5-11H2,1H3,(H,25,29,30)
InChIKeyJPXLSXLBKKJIHK-UHFFFAOYSA-N
XLogP-0.24
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733281
2-(2,6-dioxopiperidin-3-yl)-4-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethylamino)methyl]isoindole-1,3-dione
CID 167741225
4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739086
2-(2,6-dioxopiperidin-3-yl)-4-[[(3-methylpiperidin-4-yl)methylamino]methyl]isoindole-1,3-dione
CID 167716781
4-[[[(Z)-4-aminobut-2-enyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724884
2-(2,6-dioxopiperidin-3-yl)-4-[[[(2R)-pyrrolidin-2-yl]methylamino]methyl]isoindole-1,3-dione
CID 167725576
2-(2,6-dioxopiperidin-3-yl)-4-[[[8-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]amino]methyl]isoindole-1,3-dione
CID 167728553
4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736448
4-[(3-azaspiro[5.5]undecan-9-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727973
4-[[(4-cyclobutylpiperidin-4-yl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740870
2-(2,6-dioxopiperidin-3-yl)-4-[(2-pyrrolidin-3-yloxyethylamino)methyl]isoindole-1,3-dione
CID 167723378
2-(2,6-dioxopiperidin-3-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]isoindole-1,3-dione
CID 167727601

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione (CID 167723892) is 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione is Cn1nc(CNCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2c1CCNC2.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione?
The InChIKey is JPXLSXLBKKJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-27-16-7-8-23-10-14(16)15(26-27)11-24-9-12-3-2-4-13-19(12)22(32)28(21(13)31)17-5-6-18(29)25-20(17)30/h2-4,17,23-24H,5-11H2,1H3,(H,25,29,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione has a molecular weight of 436.47 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167723892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).