6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C20H17N3O4 — CID 17067657

IUPAC6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCOc1ccc(-n2[nH]c3[nH]c(-c4ccccc4OC)cc(=O)c3c2=O)cc1
InChIInChI=1S/C20H17N3O4/c1-26-13-9-7-12(8-10-13)23-20(25)18-16(24)11-15(21-19(18)22-23)14-5-3-4-6-17(14)27-2/h3-11H,1-2H3,(H2,21,22,24)
InChIKeyJSTLUDFLHDYVRV-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.69
Rot. Bonds4

About 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 17067657) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID17067657
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCOc1ccc(-n2[nH]c3[nH]c(-c4ccccc4OC)cc(=O)c3c2=O)cc1
InChIInChI=1S/C20H17N3O4/c1-26-13-9-7-12(8-10-13)23-20(25)18-16(24)11-15(21-19(18)22-23)14-5-3-4-6-17(14)27-2/h3-11H,1-2H3,(H2,21,22,24)
InChIKeyJSTLUDFLHDYVRV-UHFFFAOYSA-N
XLogP2.69
TPSA89.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 17067657) is 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is COc1ccc(-n2[nH]c3[nH]c(-c4ccccc4OC)cc(=O)c3c2=O)cc1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is JSTLUDFLHDYVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-13-9-7-12(8-10-13)23-20(25)18-16(24)11-15(21-19(18)22-23)14-5-3-4-6-17(14)27-2/h3-11H,1-2H3,(H2,21,22,24).
What are the key properties of 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 363.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 17067657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).