(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide (Q27463993)

CHEMBL2023556 (English)

19 October 2016

chemical formula

C₂₇H₃₀F₃N₅O₅

1 reference

CHEMBL2023556 (English)

19 October 2016

canonical SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)OC(F)(F)F

1 reference

CHEMBL2023556 (English)

19 October 2016

isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)N3CCC[C@@H](C3)C(=O)NCC4=CC(=CC=C4)OC(F)(F)F

1 reference

CHEMBL2023556 (English)

InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2023556 (English)

LDRVTAIULYJYRP-SFHVURJKSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2023556 (English)

19 October 2016

1 reference

(3S)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide (English)

19 October 2016

2 references

CHEMBL2023556 (English)

matched by identifier from

19 October 2016

InChIKey

LDRVTAIULYJYRP-SFHVURJKSA-N

1 reference

CHEMBL2023556 (English)

19 October 2016

1 reference

0 references

1 reference

4FNZ (English)