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

C18H18N6O4 — CID 167739086

IUPAC4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCn1nc(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1N
InChIInChI=1S/C18H18N6O4/c1-23-12(19)7-13(22-23)20-8-9-3-2-4-10-15(9)18(28)24(17(10)27)11-5-6-14(25)21-16(11)26/h2-4,7,11H,5-6,8,19H2,1H3,(H,20,22)(H,21,25,26)
InChIKeyFIWACPXJHNAKBI-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.02
Rot. Bonds4

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

4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167739086) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167739086
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCn1nc(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1N
InChIInChI=1S/C18H18N6O4/c1-23-12(19)7-13(22-23)20-8-9-3-2-4-10-15(9)18(28)24(17(10)27)11-5-6-14(25)21-16(11)26/h2-4,7,11H,5-6,8,19H2,1H3,(H,20,22)(H,21,25,26)
InChIKeyFIWACPXJHNAKBI-UHFFFAOYSA-N
XLogP0.02
TPSA139.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.02
H-Bond Donors ≤ 53
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-[[(5-piperidin-4-yl-1H-pyrazol-3-yl)amino]methyl]isoindole-1,3-dione
CID 167730434
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione
CID 167723637
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 58827322
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268
4-[[4-(2-aminoethyl)anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737085
2-(2,6-dioxopiperidin-3-yl)-4-[[(5-piperazin-1-yl-2-pyridinyl)amino]methyl]isoindole-1,3-dione
CID 167741589
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
2-(2,6-dioxopiperidin-3-yl)-4-[[(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)amino]methyl]isoindole-1,3-dione
CID 167722892
4-[[[3-(aminomethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739341
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167739086) is 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cn1nc(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1N.
What is the InChIKey of 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is FIWACPXJHNAKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-23-12(19)7-13(22-23)20-8-9-3-2-4-10-15(9)18(28)24(17(10)27)11-5-6-14(25)21-16(11)26/h2-4,7,11H,5-6,8,19H2,1H3,(H,20,22)(H,21,25,26).
What are the key properties of 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 382.38 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167739086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).