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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29FN10O
Molecular Weight 528.584
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Elenestinib

SMILES

C[C@](N)(C1=CC=C(F)C=C1)C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C=C(C=C45)C6=CN(CCO)N=C6

InChI

InChIKey=IPMARPMXSFFZFG-MHZLTWQESA-N
InChI=1S/C27H29FN10O/c1-27(29,21-2-4-23(28)5-3-21)22-14-30-26(31-15-22)36-8-6-35(7-9-36)25-24-12-19(17-38(24)34-18-32-25)20-13-33-37(16-20)10-11-39/h2-5,12-18,39H,6-11,29H2,1H3/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H29FN10O
Molecular Weight 528.584
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:25:18 GMT 2023
Edited
by admin
on Sat Dec 16 15:25:18 GMT 2023
Record UNII
6FBM4CP6RK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Elenestinib
USAN  
Official Name English
2-{4-[4-(4-{5-[(1S)-1-amino-1-(4- fluorophenyl)ethyl]pyrimidin-2-yl}piperazin-1- yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1H-pyrazol-1- yl}ethan-1-ol
Systematic Name English
elenestinib [INN]
Common Name English
1H-Pyrazole-1-ethanol, 4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]-2-pyrimidinyl]-1-piperazinyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-
Systematic Name English
(S)-2-(4-(4-(4-(5-(1-amino-1-(4-fluorophenyl)ethyl)pyrimidin-2-yl)piperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl)-1H-pyrazol-1-yl)ethan-1-ol
Systematic Name English
ELENESTINIB [USAN]
Common Name English
4-[4-[4-[5-[(1S)-1-Amino-1-(4-fluorophenyl)ethyl]-2-pyrimidinyl]-1-piperazinyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1H-pyrazole-1-ethanol
Systematic Name English
BLU-263
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 890922
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
Code System Code Type Description
PUBCHEM
155190269
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
PRIMARY
NCI_THESAURUS
C180833
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
PRIMARY
FDA UNII
6FBM4CP6RK
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
PRIMARY
INN
12608
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
PRIMARY
USAN
KL-69
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
PRIMARY
CAS
2505078-08-8
Created by admin on Sat Dec 16 15:25:19 GMT 2023 , Edited by admin on Sat Dec 16 15:25:19 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY