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

C8H7F2N3O — CID 137067856

IUPAC6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1ncc2c(=O)cc(C(F)F)[nH]c21
InChIInChI=1S/C8H7F2N3O/c1-13-8-4(3-11-13)6(14)2-5(12-8)7(9)10/h2-3,7H,1H3,(H,12,14)
InChIKeyQSCOFWXPLWZHFK-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.20
Rot. Bonds1

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

6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137067856) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137067856
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1ncc2c(=O)cc(C(F)F)[nH]c21
InChIInChI=1S/C8H7F2N3O/c1-13-8-4(3-11-13)6(14)2-5(12-8)7(9)10/h2-3,7H,1H3,(H,12,14)
InChIKeyQSCOFWXPLWZHFK-UHFFFAOYSA-N
XLogP1.20
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137067855
1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135426858
1-methyl-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135436410
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865
3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135645638
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 135502832
ethyl 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133093415
ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate
CID 133103048

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137067856) is 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cn1ncc2c(=O)cc(C(F)F)[nH]c21.
What is the InChIKey of 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is QSCOFWXPLWZHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c1-13-8-4(3-11-13)6(14)2-5(12-8)7(9)10/h2-3,7H,1H3,(H,12,14).
What are the key properties of 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 199.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137067856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).