6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (Q27454230)

CHEMBL1614783 (English)

19 October 2016

chemical formula

C₂₁H₂₇F₃N₄O

1 reference

CHEMBL1614783 (English)

19 October 2016

canonical SMILES

CC1=CC(=NC(=C1)N)CC2CNCC2OCCNCC(C3=CC=C(C=C3)F)(F)F

1 reference

CHEMBL1614783 (English)

19 October 2016

isomeric SMILES

CC1=CC(=NC(=C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(C3=CC=C(C=C3)F)(F)F

1 reference

CHEMBL1614783 (English)

InChI=1S/C21H27F3N4O/c1-14-8-18(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)16-2-4-17(22)5-3-16/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1614783 (English)

IFVHOVCZGYECQL-BEFAXECRSA-N

19 October 2016

InChIKey

1 reference

CHEMBL1614783 (English)

19 October 2016

1 reference

6-{[(3R,4R)-4-(2-{[2,2-Difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine (English)

19 October 2016

2 references

CHEMBL1614783 (English)

matched by identifier from

19 October 2016

InChIKey

IFVHOVCZGYECQL-BEFAXECRSA-N

1 reference

CHEMBL1614783 (English)

19 October 2016

1 reference

0 references

1 reference

3NLY (English)