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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22ClFN6O
Molecular Weight 452.912
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Neladalkib

SMILES

CCN1N=C(Cl)C2=C1C3=CN=C(N)C(O[C@H](C)C4=CC(F)=CC=C4C5=NN(C)C=C5C2)=C3

InChI

InChIKey=FWZSCAQEBTVTOM-GFCCVEGCSA-N
InChI=1S/C23H22ClFN6O/c1-4-31-21-13-8-19(23(26)27-10-13)32-12(2)17-9-15(25)5-6-16(17)20-14(11-30(3)28-20)7-18(21)22(24)29-31/h5-6,8-12H,4,7H2,1-3H3,(H2,26,27)/t12-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4,8-Metheno-8H-dipyrazolo[3,4-h:4?,3?-k][2,5]benzoxaazacyclotetradecin-7-amine, 1-chloro-3-ethyl-12-fluoro-3,10,16,18-tetrahydro-10,16-dimethyl-, (10R)-
Preferred Name English
Neladalkib
INN  
Official Name English
(14R)-5-Chloro-7-ethyl-16-fluoro-2,14-dihydro-2,14-dimethyl-7H-8,12-metheno-4H-dipyrazolo[3,4-h:4?,3?-k][2,5]benzoxaazacyclotetradecin-11-amine
Systematic Name English
NELADALKIB [USAN]
Common Name English
neladalkib [INN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C188054
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY
FDA UNII
J32P26A6BC
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY
USAN
NO-33
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY
CAS
2739866-40-9
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY
INN
12898
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY
SMS_ID
300000054565
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY
PUBCHEM
164718816
Created by admin on Wed Apr 02 10:25:40 GMT 2025 , Edited by admin on Wed Apr 02 10:25:40 GMT 2025
PRIMARY