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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H19F2N5O4
Molecular Weight 407.3714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASP-5878

SMILES

COC1=CC(OC)=C(F)C(COC2=CN=C(NC3=CN(CCO)N=C3)N=C2)=C1F

InChI

InChIKey=VDZZYOJYLLNBTD-UHFFFAOYSA-N
InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)

HIDE SMILES / InChI

Molecular Formula C18H19F2N5O4
Molecular Weight 407.3714
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:57 GMT 2023
Record UNII
C0Z095LL72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASP-5878
Code English
ASP5878
Code English
1H-PYRAZOLE-1-ETHANOL, 4-((5-((2,6-DIFLUORO-3,5-DIMETHOXYPHENYL)METHOXY)-2-PYRIMIDINYL)AMINO)-
Systematic Name English
ASP 5878 [WHO-DD]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C122719
Created by admin on Sat Dec 16 09:46:57 GMT 2023 , Edited by admin on Sat Dec 16 09:46:57 GMT 2023
PRIMARY
CAS
1453208-66-6
Created by admin on Sat Dec 16 09:46:57 GMT 2023 , Edited by admin on Sat Dec 16 09:46:57 GMT 2023
PRIMARY
FDA UNII
C0Z095LL72
Created by admin on Sat Dec 16 09:46:57 GMT 2023 , Edited by admin on Sat Dec 16 09:46:57 GMT 2023
PRIMARY
CAS
1814961-17-5
Created by admin on Sat Dec 16 09:46:57 GMT 2023 , Edited by admin on Sat Dec 16 09:46:57 GMT 2023
NO STRUCTURE GIVEN
PUBCHEM
71736582
Created by admin on Sat Dec 16 09:46:57 GMT 2023 , Edited by admin on Sat Dec 16 09:46:57 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY