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

C8H9N3O — CID 135426862

IUPAC1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(=O)c2cnn(C)c2[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7(12)6-4-9-11(2)8(6)10-5/h3-4H,1-2H3,(H,10,12)
InChIKeyXIJVYDRFAKVCOH-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.57
Rot. Bonds

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

1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135426862) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135426862
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(=O)c2cnn(C)c2[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-7(12)6-4-9-11(2)8(6)10-5/h3-4H,1-2H3,(H,10,12)
InChIKeyXIJVYDRFAKVCOH-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

US10118930, Example 370
CID 137018423
US10118930, Example 14
CID 137018673
US10118930, Example 371
CID 137025660
2-methyl-6-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-4-one
CID 172416549
1-ethyl-6-(fluoromethyl)-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbaldehyde
CID 136449124
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
2,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
CID 137195840
1-Methyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile
CID 20134103

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135426862) is 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1cc(=O)c2cnn(C)c2[nH]1.
What is the InChIKey of 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is XIJVYDRFAKVCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7(12)6-4-9-11(2)8(6)10-5/h3-4H,1-2H3,(H,10,12).
What are the key properties of 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1,6-dimethyl-7H-pyrazolo[5,4-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 1,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135426862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).