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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H32FN5O2
Molecular Weight 453.5523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Navacaprant

SMILES

CCC1=CC(F)=C2N=C(N3CCC(CC3)NC4CCOCC4)C(C5=NC(C)=NO5)=C(C)C2=C1

InChI

InChIKey=CQOJHAJWCDJEAT-UHFFFAOYSA-N
InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C25H32FN5O2
Molecular Weight 453.5523
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 14:46:28 GMT 2023
Edited
by admin
on Sat Dec 16 14:46:28 GMT 2023
Record UNII
XK5ILZ28KI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Navacaprant
INN  
Official Name English
CYM-53093
Code English
navacaprant [INN]
Common Name English
1-(6-ETHYL-8-FLUORO-4-METHYL-3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)QUINOLIN-2-YL)-N-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4 AMINE
Systematic Name English
BTRX-335140
Code English
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5- yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
Systematic Name English
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5- yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
Systematic Name English
4-PIPERIDINAMINE, 1-(6-ETHYL-8-FLUORO-4-METHYL-3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-2-QUINOLINYL)-N-(TETRAHYDRO-2H-PYRAN-4-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401104655
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
NCI_THESAURUS
C199074
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
CAS
2244614-14-8
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
PUBCHEM
137434175
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
WIKIPEDIA
BTRX-335140
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
INN
12436
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
FDA UNII
XK5ILZ28KI
Created by admin on Sat Dec 16 14:46:28 GMT 2023 , Edited by admin on Sat Dec 16 14:46:28 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY