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

C12H12N4O2 — CID 67813781

IUPAC(5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(-c3ccccc3)nc2N(O)C1=O
InChIInChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1
InChIKeyAUAOKUNOKVGYJP-JTQLQIEISA-N
MW244.25 g/mol
LogP0.48
Rot. Bonds1

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

(5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 67813781) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID67813781
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name(5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(-c3ccccc3)nc2N(O)C1=O
InChIInChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1
InChIKeyAUAOKUNOKVGYJP-JTQLQIEISA-N
XLogP0.48
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 67813781) is (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is N[C@H]1Cc2cn(-c3ccccc3)nc2N(O)C1=O.
What is the InChIKey of (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is AUAOKUNOKVGYJP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1.
What are the key properties of (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
(5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 244.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 67813781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).