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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17FN6O3
Molecular Weight 360.343
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATINVICITINIB

SMILES

COC1=CC(NC2=NN(C=C2C(N)=O)[C@H]3COCC[C@@H]3C#N)=CC(F)=N1

InChI

InChIKey=PRQMBGDYXWVEHE-SKDRFNHKSA-N
InChI=1S/C16H17FN6O3/c1-25-14-5-10(4-13(17)21-14)20-16-11(15(19)24)7-23(22-16)12-8-26-3-2-9(12)6-18/h4-5,7,9,12H,2-3,8H2,1H3,(H2,19,24)(H,20,21,22)/t9-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H17FN6O3
Molecular Weight 360.343
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:17:08 UTC 2023
Edited
by admin
on Fri Jul 07 00:17:08 UTC 2023
Record UNII
C238YE66P2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATINVICITINIB
INN   USAN  
Official Name English
1H-PYRAZOLE-4-CARBOXAMIDE, 1-((3R,4S)-4-CYANOTETRAHYDRO-2H-PYRAN-3-YL)-3-((2-FLUORO-6-METHOXY-4-PYRIDINYL)AMINO)-
Systematic Name English
1-((3R,4S)-4-CYANOTETRAHYDRO-2H-PYRAN-3-YL)-3-((2-FLUORO-6-METHOXY-4-PYRIDINYL)AMINO)-1H-PYRAZOLE-4-CARBOXAMIDE
Systematic Name English
atinvicitinib [INN]
Common Name English
Code System Code Type Description
INN
11898
Created by admin on Fri Jul 07 00:17:08 UTC 2023 , Edited by admin on Fri Jul 07 00:17:08 UTC 2023
PRIMARY
SMS_ID
300000044770
Created by admin on Fri Jul 07 00:17:08 UTC 2023 , Edited by admin on Fri Jul 07 00:17:08 UTC 2023
PRIMARY
NCI_THESAURUS
C188555
Created by admin on Fri Jul 07 00:17:08 UTC 2023 , Edited by admin on Fri Jul 07 00:17:08 UTC 2023
PRIMARY
FDA UNII
C238YE66P2
Created by admin on Fri Jul 07 00:17:08 UTC 2023 , Edited by admin on Fri Jul 07 00:17:08 UTC 2023
PRIMARY
PUBCHEM
135138184
Created by admin on Fri Jul 07 00:17:08 UTC 2023 , Edited by admin on Fri Jul 07 00:17:08 UTC 2023
PRIMARY
CAS
2169273-59-8
Created by admin on Fri Jul 07 00:17:08 UTC 2023 , Edited by admin on Fri Jul 07 00:17:08 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY