4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one

C20H17N3O — CID 2824852

IUPAC4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)n(-c2ccccc2)c2nn(-c3ccccc3)c(=O)c1-2
InChIInChI=1S/C20H17N3O/c1-14-13-15(2)22(16-9-5-3-6-10-16)19-18(14)20(24)23(21-19)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyLUIUYGXMWCAILW-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.74
Rot. Bonds2

About 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one

4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one (PubChem CID 2824852) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
PubChem CID2824852
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)n(-c2ccccc2)c2nn(-c3ccccc3)c(=O)c1-2
InChIInChI=1S/C20H17N3O/c1-14-13-15(2)22(16-9-5-3-6-10-16)19-18(14)20(24)23(21-19)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyLUIUYGXMWCAILW-UHFFFAOYSA-N
XLogP3.74
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595034
N,N-diethyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595035
4-[[4-(Diethylamino)phenyl]methylene]-5-(dimethylamino)-2,4-dihydro-2-phenyl-3H-pyrazol-3-one
CID 54550339
N-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide
CID 76848
1,5-dimethyl-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-piperidin-1-ylmethyl]-2-phenylpyrazol-3-one
CID 145969813
5-Methyl-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-2-phenylpyrazol-3-one
CID 231250
4-Phenyl-4,5,7,8,9-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7-trien-3-one
CID 2386081
(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one
CID 2487531
N-(4,5-Dihydro-4-methyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide
CID 103840
5-[(4,4-Difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one
CID 54589177
2-(2-Fluorophenyl)-3-oxo-2,3-dihydropyrazolo[4,3-c]quinolizine-5-carbaldehyde
CID 86762007

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one (CID 2824852) is 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)n(-c2ccccc2)c2nn(-c3ccccc3)c(=O)c1-2.
What is the InChIKey of 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
The InChIKey is LUIUYGXMWCAILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-13-15(2)22(16-9-5-3-6-10-16)19-18(14)20(24)23(21-19)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one?
4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one has a molecular weight of 315.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 2824852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).