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

C11H12F3N3O — CID 135562151

IUPAC3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C11H12F3N3O/c1-3-4-17-10-9(6(2)16-17)7(11(12,13)14)5-8(18)15-10/h5H,3-4H2,1-2H3,(H,15,18)
InChIKeyREQOJGFLISQMOB-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.46
Rot. Bonds2

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

3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135562151) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135562151
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C11H12F3N3O/c1-3-4-17-10-9(6(2)16-17)7(11(12,13)14)5-8(18)15-10/h5H,3-4H2,1-2H3,(H,15,18)
InChIKeyREQOJGFLISQMOB-UHFFFAOYSA-N
XLogP2.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135562151) is 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is CCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21.
What is the InChIKey of 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is REQOJGFLISQMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-3-4-17-10-9(6(2)16-17)7(11(12,13)14)5-8(18)15-10/h5H,3-4H2,1-2H3,(H,15,18).
What are the key properties of 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 259.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135562151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).