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

C8H9N3O — CID 135428373

IUPAC2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2nn(C)cc12
InChIInChI=1S/C8H9N3O/c1-5-3-7(12)9-8-6(5)4-11(2)10-8/h3-4H,1-2H3,(H,9,10,12)
InChIKeyJVFFNRMFJBNFFQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.57
Rot. Bonds

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

2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 135428373) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID135428373
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2nn(C)cc12
InChIInChI=1S/C8H9N3O/c1-5-3-7(12)9-8-6(5)4-11(2)10-8/h3-4H,1-2H3,(H,9,10,12)
InChIKeyJVFFNRMFJBNFFQ-UHFFFAOYSA-N
XLogP0.57
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 137234045
4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 136414196
4-methyl-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135600421
1,7-Dihydro-4-methyl-1-(2-methylpropyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135600423
1-(butan-2-yl)-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600424
1-cyclopentyl-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600425
1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135584534
1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135903354
2-methyl-4-(trifluoromethyl)-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135646630
1-ethyl-1,7-dihydro-4-(trifluoromethyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135783976
1-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one
CID 136414195
1,7-Dihydro-1,4-dimethyl-6H-pyrazolo[3,4-b]pyridin-6-one
CID 137219267

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one (CID 135428373) is 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2nn(C)cc12.
What is the InChIKey of 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is JVFFNRMFJBNFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7(12)9-8-6(5)4-11(2)10-8/h3-4H,1-2H3,(H,9,10,12).
What are the key properties of 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 163.18 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135428373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).