A1ISV

4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

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

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count33
Aromatic Bond Count21
2D diagram of A1ISV

Chemical Component Summary

Name4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Systematic Name (OpenEye OEToolkits)4-quinolin-8-yl-1~{H}-pyrazolo[3,4-d]pyrimidin-6-amine
FormulaC14 H10 N6
Molecular Weight262.269
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34
SMILESOpenEye OEToolkits2.0.7c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N
Canonical SMILESCACTVS3.385 Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N
InChIInChI1.06 InChI=1S/C14H10N6/c15-14-18-12(10-7-17-20-13(10)19-14)9-5-1-3-8-4-2-6-16-11(8)9/h1-7H,(H3,15,17,18,19,20)
InChIKeyInChI1.06 AQECLDMGKPHFHU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 50984058
ChEMBL CHEMBL5019909