(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

C13H10F3N3O2 — CID 136932696

IUPAC(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2-c2ccccc2)N1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)6-8(20)17-11-9(12)10(18-19-11)7-4-2-1-3-5-7/h1-5,21H,6H2,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyJNEISNLAIZZLPC-GFCCVEGCSA-N
MW297.24 g/mol
LogP2.17
Rot. Bonds1

About (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136932696) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136932696
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2-c2ccccc2)N1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)6-8(20)17-11-9(12)10(18-19-11)7-4-2-1-3-5-7/h1-5,21H,6H2,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyJNEISNLAIZZLPC-GFCCVEGCSA-N
XLogP2.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-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 (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136932696) is (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2-c2ccccc2)N1.
What is the InChIKey of (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is JNEISNLAIZZLPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)6-8(20)17-11-9(12)10(18-19-11)7-4-2-1-3-5-7/h1-5,21H,6H2,(H2,17,18,19,20)/t12-/m1/s1.
What are the key properties of (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 297.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136932696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).