FZP

(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate

Created:2018-05-01
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count23
2D diagram of FZP

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Chemical Component Summary

Name(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
Systematic Name (OpenEye OEToolkits)(4-fluorophenyl)methyl ~{N}-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-~{N}-[3-(propanoylamino)phenyl]carbamate
FormulaC25 H24 F N7 O3
Molecular Weight489.502
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)cc2)c3cccc(c3)NC(CC)=O)ccn4
SMILESCACTVS3.385CCC(=O)Nc1cccc(c1)N(C(=O)OCc2ccc(F)cc2)c3ccnc(Nc4ccn(C)n4)n3
SMILESOpenEye OEToolkits2.0.6CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F
Canonical SMILESCACTVS3.385 CCC(=O)Nc1cccc(c1)N(C(=O)OCc2ccc(F)cc2)c3ccnc(Nc4ccn(C)n4)n3
Canonical SMILESOpenEye OEToolkits2.0.6 CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F
InChIInChI1.03 InChI=1S/C25H24FN7O3/c1-3-23(34)28-19-5-4-6-20(15-19)33(25(35)36-16-17-7-9-18(26)10-8-17)22-11-13-27-24(30-22)29-21-12-14-32(2)31-21/h4-15H,3,16H2,1-2H3,(H,28,34)(H,27,29,30,31)
InChIKeyInChI1.03 RAWSYDZNFQZYFL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137349380