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

C8H6F3N3O — CID 137067855

IUPAC1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1ncc2c(=O)cc(C(F)(F)F)[nH]c21
InChIInChI=1S/C8H6F3N3O/c1-14-7-4(3-12-14)5(15)2-6(13-7)8(9,10)11/h2-3H,1H3,(H,13,15)
InChIKeyKCNDLQJBTUKKPV-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.28
Rot. Bonds

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

1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137067855) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137067855
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1ncc2c(=O)cc(C(F)(F)F)[nH]c21
InChIInChI=1S/C8H6F3N3O/c1-14-7-4(3-12-14)5(15)2-6(13-7)8(9,10)11/h2-3H,1H3,(H,13,15)
InChIKeyKCNDLQJBTUKKPV-UHFFFAOYSA-N
XLogP1.28
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137067856
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
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 44822581
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
CID 117449657
7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2736610
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118825989
6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63180257
6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 625643
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137067855) is 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cn1ncc2c(=O)cc(C(F)(F)F)[nH]c21.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is KCNDLQJBTUKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-14-7-4(3-12-14)5(15)2-6(13-7)8(9,10)11/h2-3H,1H3,(H,13,15).
What are the key properties of 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 217.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137067855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).