4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione

C19H15N3O2 — CID 15019902

IUPAC4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC1=C2C(=O)N(c3ccccc3)N=C2N(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H15N3O2/c1-13-12-16(23)21(14-8-4-2-5-9-14)18-17(13)19(24)22(20-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyAILNYUFPXONHHJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione

4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 15019902) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID15019902
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC1=C2C(=O)N(c3ccccc3)N=C2N(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H15N3O2/c1-13-12-16(23)21(14-8-4-2-5-9-14)18-17(13)19(24)22(20-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyAILNYUFPXONHHJ-UHFFFAOYSA-N
XLogP3.10
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione (CID 15019902) is 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione is CC1=C2C(=O)N(c3ccccc3)N=C2N(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is AILNYUFPXONHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13-12-16(23)21(14-8-4-2-5-9-14)18-17(13)19(24)22(20-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione?
4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 317.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 15019902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).