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

C8H9N3O — CID 137195840

IUPAC2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
SMILESCc1cc(=O)c2cn(C)nc2[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7(12)6-4-11(2)10-8(6)9-5/h3-4H,1-2H3,(H,9,10)
InChIKeyGLQMFFBKJSDDJF-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.57
Rot. Bonds

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

2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one (PubChem CID 137195840) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
PubChem CID137195840
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
SMILESCc1cc(=O)c2cn(C)nc2[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7(12)6-4-11(2)10-8(6)9-5/h3-4H,1-2H3,(H,9,10)
InChIKeyGLQMFFBKJSDDJF-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

1,6-dimethyl-1H,4H,7H-pyrazolo(3,4-b)pyridin-4-one
CID 135426862
US10118930, Example 370
CID 137018423
1-(3-amino-1-isopropyl-1H-pyrazol-4-yl)ethanone
CID 51034229
2-methyl-6-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-4-one
CID 172416549
6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 156793360
1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137086389
1-Methyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137067855
6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137067856
6-(difluoromethyl)-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
CID 172416548
1-[1-Methyl-3-(pentylamino)pyrazol-4-yl]ethanone
CID 89842198
1-[1-Methyl-3-(prop-2-enylamino)pyrazol-4-yl]prop-2-en-1-one
CID 89842211
1-[1-Methyl-3-(prop-2-enylamino)pyrazol-4-yl]ethanone
CID 89842212

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one (CID 137195840) is 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one is Cc1cc(=O)c2cn(C)nc2[nH]1.
What is the InChIKey of 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The InChIKey is GLQMFFBKJSDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7(12)6-4-11(2)10-8(6)9-5/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one?
2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-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 2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 137195840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).