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

C13H9BrN4O — CID 110868084

IUPAC4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1[nH]nc2ncccc12)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN4O/c14-9-5-3-8(4-6-9)13(19)16-12-10-2-1-7-15-11(10)17-18-12/h1-7H,(H2,15,16,17,18,19)
InChIKeyNDFOXMFHZAQKEQ-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.97
Rot. Bonds2

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

4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (PubChem CID 110868084) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
PubChem CID110868084
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1[nH]nc2ncccc12)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN4O/c14-9-5-3-8(4-6-9)13(19)16-12-10-2-1-7-15-11(10)17-18-12/h1-7H,(H2,15,16,17,18,19)
InChIKeyNDFOXMFHZAQKEQ-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472353
3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110866777
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
2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
4-bromo-N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 78858732

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (CID 110868084) is 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is O=C(Nc1[nH]nc2ncccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The InChIKey is NDFOXMFHZAQKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-9-5-3-8(4-6-9)13(19)16-12-10-2-1-7-15-11(10)17-18-12/h1-7H,(H2,15,16,17,18,19).
What are the key properties of 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide has a molecular weight of 317.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 110868084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).