2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one

C18H13N3O — CID 135705355

IUPAC2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nn(-c3ccccc3)cc12
InChIInChI=1S/C18H13N3O/c22-17-11-16(13-7-3-1-4-8-13)19-18-15(17)12-21(20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20)
InChIKeyRFDCADSPDQKGPP-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.38
Rot. Bonds2

About 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one

2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one (PubChem CID 135705355) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one
PubChem CID135705355
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nn(-c3ccccc3)cc12
InChIInChI=1S/C18H13N3O/c22-17-11-16(13-7-3-1-4-8-13)19-18-15(17)12-21(20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20)
InChIKeyRFDCADSPDQKGPP-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

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Related Compounds

4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 28811486
6,8-difluoro-2-phenyl-1H-quinolin-4-one
CID 43668321
3,6-diphenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 15733471
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
CID 139226268
4,7-dimethyl-2-phenylindazole
CID 175730275
2-[3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propylamino]-1H-quinolin-4-one
CID 71517594
7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
CID 169130419
1,3,4-triphenylpyrazole
CID 555882
7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 11300504
6-phenyl-5H-[1,2,4]triazolo[1,5-b]pyridazin-8-one
CID 102115450
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one
CID 23636401

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one (CID 135705355) is 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2nn(-c3ccccc3)cc12.
What is the InChIKey of 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The InChIKey is RFDCADSPDQKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-17-11-16(13-7-3-1-4-8-13)19-18-15(17)12-21(20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20).
What are the key properties of 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one?
2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-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 2,6-diphenyl-7H-pyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 135705355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).