N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

C14H12N4O — CID 6539533

IUPACN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESCC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C14H12N4O/c1-9(19)16-14-12-7-11(8-15-13(12)17-18-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17,18,19)
InChIKeyOGLXQFQATMRTEA-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.58
Rot. Bonds2

About N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (PubChem CID 6539533) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
PubChem CID6539533
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESCC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C14H12N4O/c1-9(19)16-14-12-7-11(8-15-13(12)17-18-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17,18,19)
InChIKeyOGLXQFQATMRTEA-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 6539561
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)butyramide
CID 6539540
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
N-(5-Pyridin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)butyramide
CID 6539546
N-{5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539577
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
n-[4-(3-Amino-1h-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-n'-(3-methylphenyl)urea
CID 11646161
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 11660744

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (CID 6539533) is N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is CC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12.
What is the InChIKey of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The InChIKey is OGLXQFQATMRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9(19)16-14-12-7-11(8-15-13(12)17-18-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 6539533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).