KZQ

(4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Created:2014-05-28
Last modified:  2014-10-08

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count46
Aromatic Bond Count16
2D diagram of KZQ

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Chemical Component Summary

Name(4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Systematic Name (OpenEye OEToolkits)(4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
FormulaC19 H16 F N5 O2
Molecular Weight365.361
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)C4NC(=O)NC(=C4C(=O)Nc2cc3cnnc3cc2)C
SMILESCACTVS3.385CC1=C([CH](NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4n[nH]cc4c3
SMILESOpenEye OEToolkits1.7.6CC1=C(C(NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4
Canonical SMILESCACTVS3.385 CC1=C([C@@H](NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4n[nH]cc4c3
Canonical SMILESOpenEye OEToolkits1.7.6 CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4
InChIInChI1.03 InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)/t17-/m0/s1
InChIKeyInChI1.03 HEAIGWIZTYAQTC-KRWDZBQOSA-N

Related Resource References

Resource NameReference
PubChem 117072130