9L0

(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-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 Count48
Chiral Atom Count0
Bond Count52
Aromatic Bond Count21
2D diagram of 9L0
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Chemical Component Summary

Name(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile
SynonymsMRTX-1919
Systematic Name (OpenEye OEToolkits)8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
FormulaC21 H18 F N7 O
Molecular Weight403.412
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1cc(n(C)n1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12
SMILESCACTVS3.385Cn1nc(C)cc1c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N
SMILESOpenEye OEToolkits2.0.7Cc1cc(n(n1)C)c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F
Canonical SMILESCACTVS3.385 Cn1nc(C)cc1c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(n(n1)C)c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F
InChIInChI1.03 InChI=1S/C21H18FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,24,25)
InChIKeyInChI1.03 WUFADHRATSOXBZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 152324986