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

C15H15N3O — CID 135476868

IUPAC3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1
InChIInChI=1S/C15H15N3O/c1-9-4-6-12(7-5-9)18-15-14(11(3)17-18)10(2)8-13(19)16-15/h4-8H,1-3H3,(H,16,19)
InChIKeyCXHMMBSVAPYKCF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.64
Rot. Bonds1

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

3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135476868) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135476868
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1
InChIInChI=1S/C15H15N3O/c1-9-4-6-12(7-5-9)18-15-14(11(3)17-18)10(2)8-13(19)16-15/h4-8H,1-3H3,(H,16,19)
InChIKeyCXHMMBSVAPYKCF-UHFFFAOYSA-N
XLogP2.64
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.64
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
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135476868) is 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1.
What is the InChIKey of 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CXHMMBSVAPYKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-4-6-12(7-5-9)18-15-14(11(3)17-18)10(2)8-13(19)16-15/h4-8H,1-3H3,(H,16,19).
What are the key properties of 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 253.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(4-methylphenyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135476868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).