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

C12H14F3N3O — CID 135645643

IUPAC1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C12H14F3N3O/c1-3-4-5-18-11-10(7(2)17-18)8(12(13,14)15)6-9(19)16-11/h6H,3-5H2,1-2H3,(H,16,19)
InChIKeyJWUZHFFOLJIHIZ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.85
Rot. Bonds3

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

1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135645643) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135645643
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C12H14F3N3O/c1-3-4-5-18-11-10(7(2)17-18)8(12(13,14)15)6-9(19)16-11/h6H,3-5H2,1-2H3,(H,16,19)
InChIKeyJWUZHFFOLJIHIZ-UHFFFAOYSA-N
XLogP2.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135645643) is 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is CCCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21.
What is the InChIKey of 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JWUZHFFOLJIHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-3-4-5-18-11-10(7(2)17-18)8(12(13,14)15)6-9(19)16-11/h6H,3-5H2,1-2H3,(H,16,19).
What are the key properties of 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135645643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).