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

C22H20N6O4 — CID 176972204

IUPAC3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCc1cccc(-n2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)n1
InChIInChI=1S/C22H20N6O4/c1-32-12-15-3-2-4-19(23-15)28-11-17(25-26-28)13-5-6-16-14(9-13)10-27(22(16)31)18-7-8-20(29)24-21(18)30/h2-6,9,11,18H,7-8,10,12H2,1H3,(H,24,29,30)
InChIKeyZXUVATPUTPGYGP-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.24
Rot. Bonds5

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

3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176972204) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID176972204
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC Name3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCc1cccc(-n2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)n1
InChIInChI=1S/C22H20N6O4/c1-32-12-15-3-2-4-19(23-15)28-11-17(25-26-28)13-5-6-16-14(9-13)10-27(22(16)31)18-7-8-20(29)24-21(18)30/h2-6,9,11,18H,7-8,10,12H2,1H3,(H,24,29,30)
InChIKeyZXUVATPUTPGYGP-UHFFFAOYSA-N
XLogP1.24
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[1-[6-(2-methoxyethoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176972115
3-[6-[4-(4-chloro-3-methoxyphenyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167791543
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 5-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]pyridine-3-carboxylate
CID 167908357
3-[6-[2-[3-(hydroxymethyl)phenyl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075234
3-[6-[1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577588
methyl 2-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]benzoate
CID 167749714
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[5-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166422971
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-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167941117

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176972204) is 3-[6-[1-[6-(methoxymethyl)-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-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COCc1cccc(-n2cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)n1.
What is the InChIKey of 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZXUVATPUTPGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-32-12-15-3-2-4-19(23-15)28-11-17(25-26-28)13-5-6-16-14(9-13)10-27(22(16)31)18-7-8-20(29)24-21(18)30/h2-6,9,11,18H,7-8,10,12H2,1H3,(H,24,29,30).
What are the key properties of 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 432.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[6-(methoxymethyl)-2-pyridinyl]triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176972204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).