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

C17H16N4O2 — CID 67962985

IUPAC(5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O
InChIInChI=1S/C17H16N4O2/c18-15-8-14-10-20(19-16(14)21(23)17(15)22)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1
InChIKeyGKFXVWAEQLGWQM-HNNXBMFYSA-N
MW308.34 g/mol
LogP1.69
Rot. Bonds2

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

(5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 67962985) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID67962985
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESN[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O
InChIInChI=1S/C17H16N4O2/c18-15-8-14-10-20(19-16(14)21(23)17(15)22)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1
InChIKeyGKFXVWAEQLGWQM-HNNXBMFYSA-N
XLogP1.69
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.69
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-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 67962985) is (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is N[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O.
What is the InChIKey of (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GKFXVWAEQLGWQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-15-8-14-10-20(19-16(14)21(23)17(15)22)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1.
What are the key properties of (5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
(5S)-5-amino-7-hydroxy-2-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 308.34 g/mol, XLogP of 1.69, 2 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-(naphthalen-2-ylmethyl)-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 67962985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).