9K1

(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol

Created:2017-05-16
Last modified:  2019-12-25

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count1
Bond Count51
Aromatic Bond Count22
2D diagram of 9K1

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Chemical Component Summary

Name(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
Systematic Name (OpenEye OEToolkits)(2~{S})-2-[[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridin-3-yl-propan-1-ol
FormulaC21 H21 N5 O
Molecular Weight359.424
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c31n(ccnc1NC(Cc2cccnc2)CO)c(cn3)c4ccc(C)cc4
SMILESCACTVS3.385Cc1ccc(cc1)c2cnc3n2ccnc3N[CH](CO)Cc4cccnc4
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1)c2cnc3n2ccnc3NC(Cc4cccnc4)CO
Canonical SMILESCACTVS3.385 Cc1ccc(cc1)c2cnc3n2ccnc3N[C@H](CO)Cc4cccnc4
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO
InChIInChI1.03 InChI=1S/C21H21N5O/c1-15-4-6-17(7-5-15)19-13-24-21-20(23-9-10-26(19)21)25-18(14-27)11-16-3-2-8-22-12-16/h2-10,12-13,18,27H,11,14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyInChI1.03 ALAPXRDQVUXCMS-SFHVURJKSA-N

Related Resource References

Resource NameReference
PubChem 145945971