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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H49N11O5
Molecular Weight 763.8878
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HTL-0022562

SMILES

CC1=CC(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)NC4=C3C=CC=N4)C(=O)N[C@@H](CC5CCNCC5)C(=O)N6CCN(CC6)C7=CC=NC=C7)=CC8=C1NN=C8

InChI

InChIKey=LIPVCPUZWNTQHV-SAIUNTKASA-N
InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HTL-0022562
Code English
N-((R)-3-(7-METHYL-1H-INDAZOL-5-YL)-1-OXO-1-(((S)-1-OXO-3-(PIPERIDIN-4-YL)-1-(4-(PYRIDIN-4-YL)PIPERAZIN-1-YL)PROPAN-2-YL)AMINO)PROPAN-2-YL)-2'-OXO-1',2'-DIHYDROSPIRO(PIPERIDINE-4,4'-PYRIDO(2,3-D)(1,3)OXAZINE)-1-CARBOXAMIDE
Systematic Name English
HTL0022562
Code English
HTL22562
Code English
HTL-22562
Code English
Code System Code Type Description
CAS
2097085-63-5
Created by admin on Sat Dec 16 17:18:22 GMT 2023 , Edited by admin on Sat Dec 16 17:18:22 GMT 2023
PRIMARY
PUBCHEM
129072557
Created by admin on Sat Dec 16 17:18:22 GMT 2023 , Edited by admin on Sat Dec 16 17:18:22 GMT 2023
PRIMARY
FDA UNII
QP50ESO5RA
Created by admin on Sat Dec 16 17:18:22 GMT 2023 , Edited by admin on Sat Dec 16 17:18:22 GMT 2023
PRIMARY