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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H21ClN8O4
Molecular Weight 508.917
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-3651

SMILES

C[C@H](CO)OC[C@H](OC1=C2C=NN(C2=NC=N1)C3=C(C=CC=C3Cl)C#N)C(=O)NC4=NC=C(C)N=C4

InChI

InChIKey=KZZAQWDCTIJMOX-KDOFPFPSSA-N
InChI=1S/C23H21ClN8O4/c1-13-7-27-19(9-26-13)31-22(34)18(11-35-14(2)10-33)36-23-16-8-30-32(21(16)28-12-29-23)20-15(6-25)4-3-5-17(20)24/h3-5,7-9,12,14,18,33H,10-11H2,1-2H3,(H,27,31,34)/t14-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H21ClN8O4
Molecular Weight 508.917
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 Sat Dec 16 18:08:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:52 GMT 2023
Record UNII
45WTH93JBL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-3651
Code English
AZD3651
Code English
(2S)-2-((1-(2-CHLORO-6-CYANOPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-YL)OXY)-3-((1R)-2-HYDROXY-1-METHYLETHOXY)-N-(5-METHYL-2-PYRAZINYL)PROPANAMIDE
Systematic Name English
PROPANAMIDE, 2-((1-(2-CHLORO-6-CYANOPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-YL)OXY)-3-((1R)-2-HYDROXY-1-METHYLETHOXY)-N-(5-METHYL-2-PYRAZINYL)-, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
46175611
Created by admin on Sat Dec 16 18:08:52 GMT 2023 , Edited by admin on Sat Dec 16 18:08:52 GMT 2023
PRIMARY
CAS
1207830-66-7
Created by admin on Sat Dec 16 18:08:52 GMT 2023 , Edited by admin on Sat Dec 16 18:08:52 GMT 2023
PRIMARY
FDA UNII
45WTH93JBL
Created by admin on Sat Dec 16 18:08:52 GMT 2023 , Edited by admin on Sat Dec 16 18:08:52 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY