3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H24N6O5 — CID 176972115

IUPAC3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCCOCc1cccc(-n2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)n1
InChIInChI=1S/C24H24N6O5/c1-34-9-10-35-14-17-3-2-4-21(25-17)30-13-19(27-28-30)15-5-6-18-16(11-15)12-29(24(18)33)20-7-8-22(31)26-23(20)32/h2-6,11,13,20H,7-10,12,14H2,1H3,(H,26,31,32)
InChIKeyZNYNWMAGAYJOFX-UHFFFAOYSA-N
MW476.49 g/mol
LogP1.25
Rot. Bonds8

About 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176972115) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID176972115
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCCOCc1cccc(-n2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)n1
InChIInChI=1S/C24H24N6O5/c1-34-9-10-35-14-17-3-2-4-21(25-17)30-13-19(27-28-30)15-5-6-18-16(11-15)12-29(24(18)33)20-7-8-22(31)26-23(20)32/h2-6,11,13,20H,7-10,12,14H2,1H3,(H,26,31,32)
InChIKeyZNYNWMAGAYJOFX-UHFFFAOYSA-N
XLogP1.25
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176972204
3-[6-[4-(4-chloro-3-methoxyphenyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167791543
methyl 5-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]pyridine-3-carboxylate
CID 167908357
3-[6-[4-(4,6-dimethoxypyrimidin-2-yl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167751325
3-[6-[4-(3-chloro-4-methylphenyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167948377
methyl 2-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]benzoate
CID 167749714
methyl 2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]pyrazol-1-yl]acetate
CID 176972047
3-[6-[2-[3-(hydroxymethyl)phenyl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075234
methyl 2-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]-6-fluorobenzoate
CID 167925137
3-[6-(6-methoxypyridazin-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 167764254
3-[6-[1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577588
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176972115) is 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COCCOCc1cccc(-n2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)n1.
What is the InChIKey of 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZNYNWMAGAYJOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-34-9-10-35-14-17-3-2-4-21(25-17)30-13-19(27-28-30)15-5-6-18-16(11-15)12-29(24(18)33)20-7-8-22(31)26-23(20)32/h2-6,11,13,20H,7-10,12,14H2,1H3,(H,26,31,32).
What are the key properties of 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 476.49 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176972115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).