3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide

C13H10N4O2 — CID 110472353

IUPAC3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1[nH]nc2ncccc12)c1cccc(O)c1
InChIInChI=1S/C13H10N4O2/c18-9-4-1-3-8(7-9)13(19)15-12-10-5-2-6-14-11(10)16-17-12/h1-7,18H,(H2,14,15,16,17,19)
InChIKeyYHXJGFWVQLAMKL-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.92
Rot. Bonds2

About 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide

3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (PubChem CID 110472353) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
PubChem CID110472353
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1[nH]nc2ncccc12)c1cccc(O)c1
InChIInChI=1S/C13H10N4O2/c18-9-4-1-3-8(7-9)13(19)15-12-10-5-2-6-14-11(10)16-17-12/h1-7,18H,(H2,14,15,16,17,19)
InChIKeyYHXJGFWVQLAMKL-UHFFFAOYSA-N
XLogP1.92
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110868084
3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110866777
2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472978
2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110470080
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
1,3,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 110472934
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
CID 79503125
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The IUPAC name of 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (CID 110472353) is 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is O=C(Nc1[nH]nc2ncccc12)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The InChIKey is YHXJGFWVQLAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-9-4-1-3-8(7-9)13(19)15-12-10-5-2-6-14-11(10)16-17-12/h1-7,18H,(H2,14,15,16,17,19).
What are the key properties of 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide has a molecular weight of 254.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 110472353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).