HA6

2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one

Created:2015-11-30
Last modified:  2016-01-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count26
Aromatic Bond Count11
2D diagram of HA6

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Chemical Component Summary

Name2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one
FormulaC10 H7 N5 O2
Molecular Weight229.195
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3
SMILESOpenEye OEToolkits1.7.6c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3
Canonical SMILESCACTVS3.385 O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3
Canonical SMILESOpenEye OEToolkits1.7.6 c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3
InChIInChI1.03 InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16)
InChIKeyInChI1.03 MOMKPBKMLHPDGF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3770916
PubChem 114286470, 135567124
ChEMBL CHEMBL3770916