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

C13H14N4O2 — CID 67962992

IUPAC(5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
InChIInChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
InChIKeyYEHNWRNMGIYLAL-NSHDSACASA-N
MW258.28 g/mol
LogP0.54
Rot. Bonds2

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

(5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 67962992) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID67962992
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
InChIInChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
InChIKeyYEHNWRNMGIYLAL-NSHDSACASA-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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Related Compounds

(5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67813781
(5S)-5-amino-3-benzyl-7-hydroxy-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 71059324
(6S)-6-amino-2-benzyl-4-hydroxy-6,7-dihydropyrazolo[4,3-b]pyridin-5-one
CID 67962968
(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962970
(5S)-5-amino-7-hydroxy-2-[2-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962978
(5S)-5-amino-7-hydroxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962979
(5S)-5-amino-7-hydroxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962980
(5S)-5-amino-2-benzyl-7-hydroxy-3-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962981
(5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962985
(5S)-5-amino-7-hydroxy-2-(naphthalen-1-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962986
(5S)-5-amino-3-benzyl-7-hydroxy-2-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67963016
(5S)-5-amino-7-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67963017

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 67962992) is (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O.
What is the InChIKey of (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is YEHNWRNMGIYLAL-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1.
What are the key properties of (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
(5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-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 (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 67962992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).