9JL

(4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile

Created:2021-10-20
Last modified:  2022-11-09

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count63
Aromatic Bond Count22
2D diagram of 9JL
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Chemical Component Summary

Name(4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile
SynonymsMRTX-2219
Systematic Name (OpenEye OEToolkits)8-[4-[(dimethylamino)methyl]-2-methyl-phenyl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
FormulaC26 H25 F N6 O
Molecular Weight456.515
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)Cc1ccc(c(C)c1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12
SMILESCACTVS3.385CN(C)Cc1ccc(c(C)c1)c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N
SMILESOpenEye OEToolkits2.0.7Cc1cc(ccc1c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F)CN(C)C
Canonical SMILESCACTVS3.385 CN(C)Cc1ccc(c(C)c1)c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(ccc1c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F)CN(C)C
InChIInChI1.03 InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30)
InChIKeyInChI1.03 FLCIOLFIDGTRCI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155788096