N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine (Q27462513)

CHEMBL1222711 (English)

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₁FN₈O

1 reference

CHEMBL1222711 (English)

19 October 2016

canonical SMILES

C1CC(N(C1)C(=O)C2=CN=C(C=C2)F)C3=NN4C=CC=C4C(=N3)NC5=NNC(=C5)C6CC6

1 reference

CHEMBL1222711 (English)

19 October 2016

isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CN=C(C=C2)F)C3=NN4C=CC=C4C(=N3)NC5=NNC(=C5)C6CC6

1 reference

CHEMBL1222711 (English)

InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1222711 (English)

XXGADWBTSMHVDF-MRXNPFEDSA-N

19 October 2016

InChIKey

1 reference

CHEMBL1222711 (English)

19 October 2016

1 reference

[(2R)-2-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-1-pyrrolidinyl](6-fluoro-3-pyridinyl)methanone (English)

19 October 2016

1 reference

CHEMBL1222711 (English)

19 October 2016

1 reference

CHEMBL1222711 (English)

19 October 2016

1 reference

0 references

1 reference

3NW5 (English)