4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide

C13H9N5O3 — CID 97057151

IUPAC4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESO=C(N[C@@H]1N=Nc2ncccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9N5O3/c19-13(8-3-5-9(6-4-8)18(20)21)15-12-10-2-1-7-14-11(10)16-17-12/h1-7,12H,(H,15,19)/t12-/m1/s1
InChIKeyHGDGHFNNQWGZBV-GFCCVEGCSA-N
MW283.25 g/mol
LogP2.52
Rot. Bonds3

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

4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (PubChem CID 97057151) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
PubChem CID97057151
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESO=C(N[C@@H]1N=Nc2ncccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9N5O3/c19-13(8-3-5-9(6-4-8)18(20)21)15-12-10-2-1-7-14-11(10)16-17-12/h1-7,12H,(H,15,19)/t12-/m1/s1
InChIKeyHGDGHFNNQWGZBV-GFCCVEGCSA-N
XLogP2.52
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (CID 97057151) is 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide is O=C(N[C@@H]1N=Nc2ncccc21)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The InChIKey is HGDGHFNNQWGZBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H9N5O3/c19-13(8-3-5-9(6-4-8)18(20)21)15-12-10-2-1-7-14-11(10)16-17-12/h1-7,12H,(H,15,19)/t12-/m1/s1.
What are the key properties of 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide has a molecular weight of 283.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 97057151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).