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

C9H8F3N3O — CID 135424139

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

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

1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135424139) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135424139
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2[nH]c(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C9H8F3N3O/c1-4-7-5(16)3-6(9(10,11)12)13-8(7)15(2)14-4/h3H,1-2H3,(H,13,16)
InChIKeyDRGWWZYVDZMWIQ-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135424139) is 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(C)c2[nH]c(C(F)(F)F)cc(=O)c12.
What is the InChIKey of 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is DRGWWZYVDZMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-4-7-5(16)3-6(9(10,11)12)13-8(7)15(2)14-4/h3H,1-2H3,(H,13,16).
What are the key properties of 1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1,3-dimethyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-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-6-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135424139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).