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

C8H9N3O — CID 135538831

IUPAC3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2n[nH]c(C)c12
InChIInChI=1S/C8H9N3O/c1-4-3-6(12)9-8-7(4)5(2)10-11-8/h3H,1-2H3,(H2,9,10,11,12)
InChIKeyVBJUXTFHVXFEEZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.87
Rot. Bonds

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

3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135538831) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135538831
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2n[nH]c(C)c12
InChIInChI=1S/C8H9N3O/c1-4-3-6(12)9-8-7(4)5(2)10-11-8/h3H,1-2H3,(H2,9,10,11,12)
InChIKeyVBJUXTFHVXFEEZ-UHFFFAOYSA-N
XLogP0.87
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (CID 135538831) is 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2n[nH]c(C)c12.
What is the InChIKey of 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is VBJUXTFHVXFEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-3-6(12)9-8-7(4)5(2)10-11-8/h3H,1-2H3,(H2,9,10,11,12).
What are the key properties of 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 163.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135538831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).