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

C13H11N3O2 — CID 617753

IUPAC4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C13H11N3O2/c1-8-7-10(17)14-12-11(8)13(18)16(15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,17)
InChIKeyQKSMEUJDXLNQJE-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.32
Rot. Bonds1

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

4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 617753) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID617753
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C13H11N3O2/c1-8-7-10(17)14-12-11(8)13(18)16(15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,17)
InChIKeyQKSMEUJDXLNQJE-UHFFFAOYSA-N
XLogP1.32
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione (CID 617753) is 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione is Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is QKSMEUJDXLNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-7-10(17)14-12-11(8)13(18)16(15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,17).
What are the key properties of 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione?
4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 241.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 617753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).