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

C9H8F3N3O — CID 135468309

IUPAC1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C9H8F3N3O/c1-4-7-5(9(10,11)12)3-6(16)13-8(7)15(2)14-4/h3H,1-2H3,(H,13,16)
InChIKeyKZACOJWFPMIYLZ-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.59
Rot. Bonds

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

1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135468309) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135468309
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C9H8F3N3O/c1-4-7-5(9(10,11)12)3-6(16)13-8(7)15(2)14-4/h3H,1-2H3,(H,13,16)
InChIKeyKZACOJWFPMIYLZ-UHFFFAOYSA-N
XLogP1.59
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-trimethyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135447117
3,5-Dimethyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875692
3-[3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-1-yl]propanenitrile
CID 135495515
1-(tert-butyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418903
1-cyclopentyl-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135413839
N-tert-butyl-2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16026409
3,4-dimethyl-1-pentyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135406013
N-(3-methylbutyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026215
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(3-methylbutyl)propanamide
CID 16026660
1-Cyclohexyl-3,4-dimethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135473418
1,3-dimethyl-4-(pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135645637
3,4-Dimethyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135538831

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135468309) is 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2[nH]c(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KZACOJWFPMIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-4-7-5(9(10,11)12)3-6(16)13-8(7)15(2)14-4/h3H,1-2H3,(H,13,16).
What are the key properties of 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 231.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135468309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).