Search MNXref
 Feedback

(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

PropertiesImage
MNX_IDMNXM170580 Image of MNXM170580
referencechebi:102448
formulaC25H25FN4O3
global charge0
mol weight448.498
InChIKeyQUSVXALKSRSRLD-YXPKMTABSA-N
InChIInChI=1S/C25H25FN4O3/c1-29-22-19(20(14-31)23(29)24(32)28-12-17-7-2-3-10-27-17)13-30-21(22)9-8-18(25(30)33)15-5-4-6-16(26)11-15/h2-11,19-20,22-23,31H,12-14H2,1H3,(H,28,32)/t19-,20-,22+,23-/m1/s1
SMILESCN1[C@@H]2C3=CC=C(C4=CC(F)=CC=C4)C(=O)N3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1=CC=CC=N1
MNX internals
InChI (mnx)InChI=1/C25H25FN4O3/c1-29-22-19(20(14-31)23(29)24(32)28-12-17-7-2-3-10-27-17)13-30-21(22)9-8-18(25(30)33)15-5-4-6-16(26)11-15/h2-11,19-20,22-23,31H,12-14H2,1H3,(H,28,32)/t19-,20-,22+,23-/m1/s1 Image of MNXM170580
SMILES (mnx)[CH3:1][N:29]1[C@H:22]2[C@H:19]([CH2:13][N:30]3[C:21]2=[CH:9][CH:8]=[C:18]([C:15]2=[CH:11][C:16]([F:26])=[CH:6][CH:4]=[CH:5]2)[C:25]3=[O:33])[C@@H:20]([CH2:14][OH:31])[C@@H:23]1[C:24](=[N:28][CH2:12][C:17]1=[CH:7][CH:2]=[CH:3][CH:10]=[N:27]1)[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:102448
chebi:102448
QUSVXALKSRSRLD-YXPKMTABSA-N
(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide