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baricitinib

PropertiesImage
MNX_IDMNXM152537 Image of MNXM152537
referencechebi:95341
formulaC16H17N7O2S
global charge0
mol weight371.426
InChIKeyXUZMWHLSFXCVMG-UHFFFAOYSA-N
InChIInChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
SMILESCCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC=N3)C=N2)C1
MNX internals
InChI (mnx)InChI=1/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) Image of MNXM152537
SMILES (mnx)[CH3:1][CH2:2][S:26]([N:22]1[CH2:9][C:16]([CH2:4][C:5]#[N:17])([N:23]2[CH:8]=[C:12]([C:14]3=[C:13]4[CH:3]=[CH:6][N:18]=[C:15]4[NH:20][CH:11]=[N:19]3)[CH:7]=[N:21]2)[CH2:10]1)(=[O:24])=[O:25]
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:95341
chebi:95341
XUZMWHLSFXCVMG-UHFFFAOYSA-N 		baricitinib
1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile
2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
INCB 028050
INCB-028050
INCB028050
LY 3009104
LY-3009104
LY3009104
Olumiant
baricitinibum
{1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile

kegg.drug:D10308
keggD:D10308
XUZMWHLSFXCVMG-UHFFFAOYSA-N 		Baricitinib (JAN/USAN/INN)
Olumiant (TN)
hmdb:HMDB0248873
XUZMWHLSFXCVMG-UHFFFAOYSA-N 		Baricitinib
2-[1-(Ethanesulphonyl)-3-(4-{1h-pyrrolo[2,3-D]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile
2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile
2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrazol-1-yl)azetidin-3-yl]acetonitrile
INCB-28050ly3009104
INCB028050
Olumiant

keggD:M_D10308 		secondary/obsolete/fantasy identifier