8JM

4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol

Created:2017-02-09
Last modified:  2017-10-25

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count22
2D diagram of 8JM

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Chemical Component Summary

Name4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
Systematic Name (OpenEye OEToolkits)4-[2-azanyl-4-ethyl-5-(1~{H}-indazol-5-yl)pyridin-3-yl]phenol
FormulaC20 H18 N4 O
Molecular Weight330.383
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3c4ccc(cc4)O)N
SMILESCACTVS3.385CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3
SMILESOpenEye OEToolkits2.0.6CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4
Canonical SMILESCACTVS3.385 CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3
Canonical SMILESOpenEye OEToolkits2.0.6 CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4
InChIInChI1.03 InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyInChI1.03 ZHYXJQQBKROZDX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4076247
PubChem 122531786
ChEMBL CHEMBL4076247