BGE

4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine

Created:2017-10-02
Last modified:  2018-08-08

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count17
2D diagram of BGE

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Chemical Component Summary

Name4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
FormulaC19 H21 N5 O
Molecular Weight335.403
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2
SMILESOpenEye OEToolkits2.0.6Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4
Canonical SMILESCACTVS3.385 Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4
InChIInChI1.03 InChI=1S/C19H21N5O/c1-14-19(22-13-21-14)15-6-7-20-18(12-15)23-16-2-4-17(5-3-16)24-8-10-25-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyInChI1.03 KJQAULYFYNEAHK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 134693851