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

C14H10F3N3O — CID 135484673

IUPAC3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C14H10F3N3O/c1-8-12-10(21)7-11(14(15,16)17)18-13(12)20(19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,21)
InChIKeyKRDWMYRUEPTVDW-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.04
Rot. Bonds1

About 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135484673) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135484673
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C14H10F3N3O/c1-8-12-10(21)7-11(14(15,16)17)18-13(12)20(19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,21)
InChIKeyKRDWMYRUEPTVDW-UHFFFAOYSA-N
XLogP3.04
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Pyrazolo(4,3-c)pyridine-4,6-diol, 3-amino-2-phenyl-
CID 135419024
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521595
3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135401238
3,4,5-Trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135422706
3-methyl-1-phenyl-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135456410
3,4-dimethyl-1-(4-methylphenyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135476868
3-amino-2,6-diphenyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136069671
2-[5-(4-fluoroanilino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162648598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135484673) is 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(-c2ccccc2)c2[nH]c(C(F)(F)F)cc(=O)c12.
What is the InChIKey of 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is KRDWMYRUEPTVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-12-10(21)7-11(14(15,16)17)18-13(12)20(19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,21).
What are the key properties of 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 293.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135484673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).