A1IS0

4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

Created:	2024-10-28
Last modified:	2025-03-12

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1 entries where A1IS0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	16

2D diagram of A1IS0

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Chemical Component Summary
Name	4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
Systematic Name (OpenEye OEToolkits)	4-phenyl-2~{H}-pyrazolo[3,4-b]pyridin-3-amine
Formula	C₁₂ H₁₀ N₄
Molecular Weight	210.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1[nH]nc2nccc(c3ccccc3)c12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccnc3c2c([nH]n3)N
Canonical SMILES	CACTVS	3.385	Nc1[nH]nc2nccc(c3ccccc3)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccnc3c2c([nH]n3)N
InChI	InChI	1.06	InChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16)
InChIKey	InChI	1.06	GFHKPJCWBZMRSN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2764173
ChEMBL	CHEMBL428968

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.