7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one

C15H14F3N3O2 — CID 56849213

IUPAC7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCCN1C(=O)CC(O)(C(F)(F)F)c2c1n[nH]c2-c1ccccc1
InChIInChI=1S/C15H14F3N3O2/c1-2-21-10(22)8-14(23,15(16,17)18)11-12(19-20-13(11)21)9-6-4-3-5-7-9/h3-7,23H,2,8H2,1H3,(H,19,20)
InChIKeyDGKJSIKTNWYVLT-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.58
Rot. Bonds2

About 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one

7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 56849213) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID56849213
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCCN1C(=O)CC(O)(C(F)(F)F)c2c1n[nH]c2-c1ccccc1
InChIInChI=1S/C15H14F3N3O2/c1-2-21-10(22)8-14(23,15(16,17)18)11-12(19-20-13(11)21)9-6-4-3-5-7-9/h3-7,23H,2,8H2,1H3,(H,19,20)
InChIKeyDGKJSIKTNWYVLT-UHFFFAOYSA-N
XLogP2.58
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-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 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 56849213) is 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one is CCN1C(=O)CC(O)(C(F)(F)F)c2c1n[nH]c2-c1ccccc1.
What is the InChIKey of 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is DGKJSIKTNWYVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-2-21-10(22)8-14(23,15(16,17)18)11-12(19-20-13(11)21)9-6-4-3-5-7-9/h3-7,23H,2,8H2,1H3,(H,19,20).
What are the key properties of 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one?
7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 325.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 56849213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).