(6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one

C13H14N4O2 — CID 67963007

IUPAC(6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one
SMILESN[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O
InChIInChI=1S/C13H14N4O2/c14-10-6-11-12(17(19)13(10)18)7-15-16(11)8-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8,14H2/t10-/m0/s1
InChIKeyJSUNNGBBQVPPTM-JTQLQIEISA-N
MW258.28 g/mol
LogP0.54
Rot. Bonds2

About (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one

(6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one (PubChem CID 67963007) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one
PubChem CID67963007
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one
SMILESN[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O
InChIInChI=1S/C13H14N4O2/c14-10-6-11-12(17(19)13(10)18)7-15-16(11)8-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8,14H2/t10-/m0/s1
InChIKeyJSUNNGBBQVPPTM-JTQLQIEISA-N
XLogP0.54
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.54
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 (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one (CID 67963007) is (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one is N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O.
What is the InChIKey of (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one?
The InChIKey is JSUNNGBBQVPPTM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4O2/c14-10-6-11-12(17(19)13(10)18)7-15-16(11)8-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8,14H2/t10-/m0/s1.
What are the key properties of (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one?
(6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one has a molecular weight of 258.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-1-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 67963007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).