5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C14H13N3O2 — CID 3162805

IUPAC5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1C
InChIInChI=1S/C14H13N3O2/c1-8-9(2)15-13-11(12(8)18)14(19)17(16-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,16,18)
InChIKeyZVMUPZJTMDYLLJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.62
Rot. Bonds1

About 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 3162805) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID3162805
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1C
InChIInChI=1S/C14H13N3O2/c1-8-9(2)15-13-11(12(8)18)14(19)17(16-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,16,18)
InChIKeyZVMUPZJTMDYLLJ-UHFFFAOYSA-N
XLogP1.62
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 3162805) is 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is ZVMUPZJTMDYLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-9(2)15-13-11(12(8)18)14(19)17(16-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,16,18).
What are the key properties of 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 255.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 3162805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).