4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one

C7H5F2N3O — CID 137234045

IUPAC4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(C(F)F)c2cn[nH]c2[nH]1
InChIInChI=1S/C7H5F2N3O/c8-6(9)3-1-5(13)11-7-4(3)2-10-12-7/h1-2,6H,(H2,10,11,12,13)
InChIKeyFITZNYWREKTKLA-UHFFFAOYSA-N
MW185.13 g/mol
LogP1.19
Rot. Bonds1

About 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one

4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 137234045) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID137234045
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(C(F)F)c2cn[nH]c2[nH]1
InChIInChI=1S/C7H5F2N3O/c8-6(9)3-1-5(13)11-7-4(3)2-10-12-7/h1-2,6H,(H2,10,11,12,13)
InChIKeyFITZNYWREKTKLA-UHFFFAOYSA-N
XLogP1.19
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135428373
4-Cyclohexyl-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
CID 156017977
4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 136414196
4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 136414196
1H-Pyrazolo[3,4-b]pyridin-6-ol
CID 135741701
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
1,7-Dihydro-1,4-dimethyl-6H-pyrazolo[3,4-b]pyridin-6-one
CID 137219267
N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 115692392
N-(4-ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 115968591

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one (CID 137234045) is 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one is O=c1cc(C(F)F)c2cn[nH]c2[nH]1.
What is the InChIKey of 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is FITZNYWREKTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-6(9)3-1-5(13)11-7-4(3)2-10-12-7/h1-2,6H,(H2,10,11,12,13).
What are the key properties of 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 185.13 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 137234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).