6LF

2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

Created: 2016-05-01
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count52
Aromatic Bond Count21
2D diagram of 6LF
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Chemical Component Summary

Name2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SynonymsLY2874455
Systematic Name (OpenEye OEToolkits)2-[4-[(~{E})-2-[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
FormulaC21 H19 Cl2 N5 O2
Molecular Weight444.314
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[CH](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl
SMILESOpenEye OEToolkits2.0.6CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)C=Cc4cnn(c4)CCO
Canonical SMILESCACTVS3.385 C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO
InChIInChI1.03 InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
InChIKeyInChI1.03 GKJCVYLDJWTWQU-CXLRFSCWSA-N

Drug Info: DrugBank

DrugBank IDDB13022 
NameLY-2874455
Groups investigational
DescriptionLY2874455 has been used in trials studying the treatment of Advanced Cancer.
SynonymsLY-2874455
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Pyrazoles
  • Receptors, Fibroblast Growth Factor, antagonists & inhibitors
CAS number1254473-64-7

Related Resource References

Resource NameReference
Pharos CHEMBL3828009
PubChem 46944259
ChEMBL CHEMBL3828009