6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

C26H23N7O4S — CID 178101061

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1ncc(-c2cccc(-c3nsc(CN4CCCC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)n3)c2)cn1
InChIInChI=1S/C26H23N7O4S/c1-14-27-11-17(12-28-14)15-4-2-5-16(10-15)23-30-21(38-31-23)13-32-9-3-6-18-22(32)26(37)33(25(18)36)19-7-8-20(34)29-24(19)35/h2,4-5,10-12,19H,3,6-9,13H2,1H3,(H,29,34,35)
InChIKeyVHPMYLBVRBTYHF-UHFFFAOYSA-N
MW529.58 g/mol
LogP1.99
Rot. Bonds5

About 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178101061) has the molecular formula C26H23N7O4S and a molecular weight of 529.58 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178101061
Molecular FormulaC26H23N7O4S
Molecular Weight529.58 g/mol
Exact Mass529.15
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1ncc(-c2cccc(-c3nsc(CN4CCCC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)n3)c2)cn1
InChIInChI=1S/C26H23N7O4S/c1-14-27-11-17(12-28-14)15-4-2-5-16(10-15)23-30-21(38-31-23)13-32-9-3-6-18-22(32)26(37)33(25(18)36)19-7-8-20(34)29-24(19)35/h2,4-5,10-12,19H,3,6-9,13H2,1H3,(H,29,34,35)
InChIKeyVHPMYLBVRBTYHF-UHFFFAOYSA-N
XLogP1.99
TPSA138.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178101061) is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is Cc1ncc(-c2cccc(-c3nsc(CN4CCCC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)n3)c2)cn1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is VHPMYLBVRBTYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O4S/c1-14-27-11-17(12-28-14)15-4-2-5-16(10-15)23-30-21(38-31-23)13-32-9-3-6-18-22(32)26(37)33(25(18)36)19-7-8-20(34)29-24(19)35/h2,4-5,10-12,19H,3,6-9,13H2,1H3,(H,29,34,35).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 529.58 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178101061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).