6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

C8H8FN3O — CID 156793360

IUPAC6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1ncc2c(=O)cc(CF)[nH]c21
InChIInChI=1S/C8H8FN3O/c1-12-8-6(4-10-12)7(13)2-5(3-9)11-8/h2,4H,3H2,1H3,(H,11,13)
InChIKeyNEJUFZNXTDSWLI-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.73
Rot. Bonds1

About 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 156793360) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID156793360
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1ncc2c(=O)cc(CF)[nH]c21
InChIInChI=1S/C8H8FN3O/c1-12-8-6(4-10-12)7(13)2-5(3-9)11-8/h2,4H,3H2,1H3,(H,11,13)
InChIKeyNEJUFZNXTDSWLI-UHFFFAOYSA-N
XLogP0.73
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.73
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
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
1-[5-[(2Z,4Z)-1-fluorohepta-2,4-dien-2-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 137203639
1-[5-Cyclohepta-1,3,5-trien-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 142866615
1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 155025254
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
7-(Difluoromethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 165483682

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 156793360) is 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cn1ncc2c(=O)cc(CF)[nH]c21.
What is the InChIKey of 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is NEJUFZNXTDSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-12-8-6(4-10-12)7(13)2-5(3-9)11-8/h2,4H,3H2,1H3,(H,11,13).
What are the key properties of 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 181.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 156793360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).