B7V

3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide


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Chemical Component Summary

Name3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide
Identifiers3-[(4-chloranyl-3-methoxy-phenyl)amino]-1-[(3~{R},4~{S})-4-cyanooxan-3-yl]pyrazole-4-carboxamide
FormulaC17 H18 Cl N5 O3
Molecular Weight375.81
TypeNON-POLYMER
Isomeric SMILESCOc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N
InChIInChI=1S/C17H18ClN5O3/c1-25-15-6-11(2-3-13(15)18)21-17-12(16(20)24)8-23(22-17)14-9-26-5-4-10(14)7-19/h2-3,6,8,10,14H,4-5,9H2,1H3,(H2,20,24)(H,21,22)/t10-,14+/m1/s1
InChIKeyMFWQXZZXOUIDTN-YGRLFVJLSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count46
Aromatic Bond Count11

Related Resource References

Resource NameReference
Pharos CHEMBL4071005
PubChem 131839645
ChEMBL CHEMBL4071005