2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one

C18H13N3O — CID 6463281

IUPAC2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESO=c1c2c(-c3ccccc3)ccnc2[nH]n1-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-12-19-17(16)20-21(18)14-9-5-2-6-10-14/h1-12H,(H,19,20)
InChIKeyARSMGRZKAYPZMA-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.38
Rot. Bonds2

About 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one

2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 6463281) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID6463281
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESO=c1c2c(-c3ccccc3)ccnc2[nH]n1-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-12-19-17(16)20-21(18)14-9-5-2-6-10-14/h1-12H,(H,19,20)
InChIKeyARSMGRZKAYPZMA-UHFFFAOYSA-N
XLogP3.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
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 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 6463281) is 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one is O=c1c2c(-c3ccccc3)ccnc2[nH]n1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is ARSMGRZKAYPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-12-19-17(16)20-21(18)14-9-5-2-6-10-14/h1-12H,(H,19,20).
What are the key properties of 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 287.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 6463281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).