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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24F2N6O
Molecular Weight 438.4731
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Boditrectinib

SMILES

FC1=CC=C(F)C(=C1)[C@H]2CCCN2C3=NC4=C(C=NN4C=C3)\C=C\C(=O)N5CCNCC5

InChI

InChIKey=BQFYCHBYISNPFW-SQZHUTIHSA-N
InChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H24F2N6O
Molecular Weight 438.4731
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:38:56 UTC 2023
Edited
by admin
on Fri Jul 07 00:38:56 UTC 2023
Record UNII
M359MC7QGE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Boditrectinib
INN  
Official Name English
NOV1601
Code English
AUM-601
Code English
(2E)-3-{5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-1-(piperazin-1-yl)prop-2-en-1-one
Systematic Name English
AUM601
Code English
CHC-2014
Code English
2-Propen-1-one, 3-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-(1-piperazinyl)-, (2E)-
Systematic Name English
HL5101
Code English
(R,E)-3-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1-(piperazin-1-yl)prop-2-en-1-one
Systematic Name English
CHC2014
Code English
boditrectinib [INN]
Common Name English
HL-5101
Code English
NOV-1601
Code English
Code System Code Type Description
INN
12591
Created by admin on Fri Jul 07 00:38:57 UTC 2023 , Edited by admin on Fri Jul 07 00:38:57 UTC 2023
PRIMARY
NCI_THESAURUS
C172394
Created by admin on Fri Jul 07 00:38:57 UTC 2023 , Edited by admin on Fri Jul 07 00:38:57 UTC 2023
PRIMARY
PUBCHEM
121395201
Created by admin on Fri Jul 07 00:38:57 UTC 2023 , Edited by admin on Fri Jul 07 00:38:57 UTC 2023
PRIMARY
CAS
1940165-80-9
Created by admin on Fri Jul 07 00:38:57 UTC 2023 , Edited by admin on Fri Jul 07 00:38:57 UTC 2023
PRIMARY
FDA UNII
M359MC7QGE
Created by admin on Fri Jul 07 00:38:57 UTC 2023 , Edited by admin on Fri Jul 07 00:38:57 UTC 2023
PRIMARY
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