4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one

C14H13N3O — CID 712750

IUPAC4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C14H13N3O/c1-9-8-10(2)15-13-12(9)14(18)17(16-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16)
InChIKeyAIVMGHCZMXTOIM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds1

About 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one

4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 712750) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID712750
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C14H13N3O/c1-9-8-10(2)15-13-12(9)14(18)17(16-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16)
InChIKeyAIVMGHCZMXTOIM-UHFFFAOYSA-N
XLogP2.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
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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Related Compounds

4,6-Dimethyl-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one
CID 230045
1,4,6-trimethyl-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
CID 2728743
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
6-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 879917
1-hexan-2-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 3436932
4-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6461855
2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463281
4,6-dimethyl-1-(pentan-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 757651
4,6-Dimethyl-1-(pentan-2-yl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 2947675
Ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate
CID 3242203
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 712750) is 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1.
What is the InChIKey of 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is AIVMGHCZMXTOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-8-10(2)15-13-12(9)14(18)17(16-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 239.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 712750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).