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

C14H13N3O3 — CID 17067632

IUPAC2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCOc1ccc(-n2[nH]c3[nH]c(C)cc(=O)c3c2=O)cc1
InChIInChI=1S/C14H13N3O3/c1-8-7-11(18)12-13(15-8)16-17(14(12)19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H2,15,16,18)
InChIKeyDICFZVBDXCTFQL-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.32
Rot. Bonds2

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

2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 17067632) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID17067632
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCOc1ccc(-n2[nH]c3[nH]c(C)cc(=O)c3c2=O)cc1
InChIInChI=1S/C14H13N3O3/c1-8-7-11(18)12-13(15-8)16-17(14(12)19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H2,15,16,18)
InChIKeyDICFZVBDXCTFQL-UHFFFAOYSA-N
XLogP1.32
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 17067632) is 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is COc1ccc(-n2[nH]c3[nH]c(C)cc(=O)c3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is DICFZVBDXCTFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-7-11(18)12-13(15-8)16-17(14(12)19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H2,15,16,18).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 271.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 17067632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).