VHS

3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE


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Chemical Component Summary

Name3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE
SynonymsS-CRIZOTINIB
Identifiers3-[(1S)-1-[2,6-bis(chloranyl)-3-fluoranyl-phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
FormulaC21 H22 Cl2 F N5 O
Molecular Weight450.337
TypeNON-POLYMER
Isomeric SMILESC[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4
InChIInChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
InChIKeyKTEIFNKAUNYNJU-LBPRGKRZSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count55
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL1825141
PubChem 56671814
ChEMBL CHEMBL1825141
ChEBI CHEBI:77555
CCDC/CSD JURZOO, JURZOO01