U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H21F3N4O4
Molecular Weight 474.4324
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-3161

SMILES

COC1=CN=C(C=N1)C2=CC=CC3=C2C[C@@H](CO3)NC(=O)C4=CN=C(COCC(F)(F)F)C=C4

InChI

InChIKey=LRHQXIQLHVPUNA-INIZCTEOSA-N
InChI=1S/C23H21F3N4O4/c1-32-21-10-28-19(9-29-21)17-3-2-4-20-18(17)7-16(12-34-20)30-22(31)14-5-6-15(27-8-14)11-33-13-23(24,25)26/h2-6,8-10,16H,7,11-13H2,1H3,(H,30,31)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H21F3N4O4
Molecular Weight 474.4324
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:56 UTC 2023
Edited
by admin
on Sat Dec 16 11:15:56 UTC 2023
Record UNII
403N302X2Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-3161
Common Name English
AZD 3161 [WHO-DD]
Common Name English
3-PYRIDINECARBOXAMIDE, N-((3S)-3,4-DIHYDRO-5-(5-METHOXY-2-PYRAZINYL)-2H-1-BENZOPYRAN-3-YL)-6-((2,2,2-TRIFLUOROETHOXY)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
56945146
Created by admin on Sat Dec 16 11:15:57 UTC 2023 , Edited by admin on Sat Dec 16 11:15:57 UTC 2023
PRIMARY
CAS
1369501-46-1
Created by admin on Sat Dec 16 11:15:57 UTC 2023 , Edited by admin on Sat Dec 16 11:15:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545208
Created by admin on Sat Dec 16 11:15:57 UTC 2023 , Edited by admin on Sat Dec 16 11:15:57 UTC 2023
PRIMARY
FDA UNII
403N302X2Y
Created by admin on Sat Dec 16 11:15:57 UTC 2023 , Edited by admin on Sat Dec 16 11:15:57 UTC 2023
PRIMARY
Related Record Type Details
INHIBITOR -> TARGET
Related Record Type Details
ACTIVE MOIETY