3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one

C14H13N3O — CID 135403969

IUPAC3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C14H13N3O/c1-9-8-12(18)13-10(2)16-17(14(13)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,18)
InChIKeyXUJOBJTYOMSLMR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds1

About 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one

3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135403969) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135403969
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C14H13N3O/c1-9-8-12(18)13-10(2)16-17(14(13)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,18)
InChIKeyXUJOBJTYOMSLMR-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

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
CID 607923
2H-Pyrazolo(4,3-c)pyridine-4,6-diol, 3-amino-2-phenyl-
CID 135419024
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 732509
Pyrazolo[4,3-c]pyridine-4,6(5H,7H)-dione, 3-amino-2-phenyl-
CID 555805
3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135401238
3,4,5-Trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135422706
3-methyl-1-phenyl-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135456410

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135403969) is 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1.
What is the InChIKey of 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is XUJOBJTYOMSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-8-12(18)13-10(2)16-17(14(13)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,18).
What are the key properties of 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-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 3,6-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135403969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).