2,7-diphenylpyrazolo[3,4-b]pyridin-3-one

C18H13N3O — CID 23800244

IUPAC2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
SMILESO=c1c2cccn(-c3ccccc3)c-2nn1-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-16-12-7-13-20(14-8-3-1-4-9-14)17(16)19-21(18)15-10-5-2-6-11-15/h1-13H
InChIKeyQEWCHSZSNSAKNW-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.13
Rot. Bonds2

About 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one

2,7-diphenylpyrazolo[3,4-b]pyridin-3-one (PubChem CID 23800244) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
PubChem CID23800244
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
SMILESO=c1c2cccn(-c3ccccc3)c-2nn1-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-16-12-7-13-20(14-8-3-1-4-9-14)17(16)19-21(18)15-10-5-2-6-11-15/h1-13H
InChIKeyQEWCHSZSNSAKNW-UHFFFAOYSA-N
XLogP3.13
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one (CID 23800244) is 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one is O=c1c2cccn(-c3ccccc3)c-2nn1-c1ccccc1.
What is the InChIKey of 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
The InChIKey is QEWCHSZSNSAKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-16-12-7-13-20(14-8-3-1-4-9-14)17(16)19-21(18)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
2,7-diphenylpyrazolo[3,4-b]pyridin-3-one has a molecular weight of 287.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenylpyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 23800244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).