66T

N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide

Created:2014-09-11
Last modified:  2014-11-19

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Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count70
Aromatic Bond Count17
2D diagram of 66T

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Chemical Component Summary

NameN-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Systematic Name (OpenEye OEToolkits)N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide
FormulaC26 H33 N5 O3
Molecular Weight463.572
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2ccc(N1CC(NC(C)C1)C)cc2)Nc3cc(nn3)CCc4cc(OC)cc(OC)c4
SMILESCACTVS3.385COc1cc(CCc2cc([nH]n2)NC(=O)c3ccc(cc3)N4C[CH](C)N[CH](C)C4)cc(OC)c1
SMILESOpenEye OEToolkits1.7.6CC1CN(CC(N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC
Canonical SMILESCACTVS3.385 COc1cc(CCc2cc([nH]n2)NC(=O)c3ccc(cc3)N4C[C@@H](C)N[C@@H](C)C4)cc(OC)c1
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC
InChIInChI1.03 InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
InChIKeyInChI1.03 VRQMAABPASPXMW-HDICACEKSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB12247 
NameAZD-4547
Groups investigational
DescriptionAZD4547 has been used in trials studying the treatment of Cancer, LYMPHOMA, Gastric Cancer, Adenocarcinoma, and Solid Neoplasm, among others.
SynonymsAZD-4547
CAS number1035270-39-3

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Fibroblast growth factor receptor 1MWSWKCLLFWAVLVTATLCTARPSPTLPEQAQPWGAPVEVESFLVHPGDL...unknownmodulator
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL3348846
PubChem 51039095
ChEMBL CHEMBL3348846
ChEBI CHEBI:63453