4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one

C16H14F3N3O2 — CID 66600093

IUPAC4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)(F)F)c1=O
InChIInChI=1S/C16H14F3N3O2/c1-9-5-3-4-6-10(9)12-13(23)11-7-21(2)20-14(11)22(15(12)24)8-16(17,18)19/h3-7,23H,8H2,1-2H3
InChIKeyAXIULPDGACEFLJ-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.98
Rot. Bonds2

About 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one

4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one (PubChem CID 66600093) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one
PubChem CID66600093
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)(F)F)c1=O
InChIInChI=1S/C16H14F3N3O2/c1-9-5-3-4-6-10(9)12-13(23)11-7-21(2)20-14(11)22(15(12)24)8-16(17,18)19/h3-7,23H,8H2,1-2H3
InChIKeyAXIULPDGACEFLJ-UHFFFAOYSA-N
XLogP2.98
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[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 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one (CID 66600093) is 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one is Cc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)(F)F)c1=O.
What is the InChIKey of 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is AXIULPDGACEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-9-5-3-4-6-10(9)12-13(23)11-7-21(2)20-14(11)22(15(12)24)8-16(17,18)19/h3-7,23H,8H2,1-2H3.
What are the key properties of 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 337.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 66600093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).