(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

C14H13F3N4O3 — CID 71059499

IUPAC(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)24-10-3-1-8(2-4-10)6-20-7-9-5-11(18)13(22)21(23)12(9)19-20/h1-4,7,11,23H,5-6,18H2/t11-/m0/s1
InChIKeyOLQGDYLIHMXOJU-NSHDSACASA-N
MW342.28 g/mol
LogP1.44
Rot. Bonds3

About (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 71059499) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID71059499
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)24-10-3-1-8(2-4-10)6-20-7-9-5-11(18)13(22)21(23)12(9)19-20/h1-4,7,11,23H,5-6,18H2/t11-/m0/s1
InChIKeyOLQGDYLIHMXOJU-NSHDSACASA-N
XLogP1.44
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-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 (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 71059499) is (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is N[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O.
What is the InChIKey of (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is OLQGDYLIHMXOJU-NSHDSACASA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-14(16,17)24-10-3-1-8(2-4-10)6-20-7-9-5-11(18)13(22)21(23)12(9)19-20/h1-4,7,11,23H,5-6,18H2/t11-/m0/s1.
What are the key properties of (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 342.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 71059499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).