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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H32FN7O2
Molecular Weight 529.6085
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Anizatrectinib

SMILES

[H][C@]1(CN(CCOC)C[C@H]1NC(=O)NC2=C(C)C(=NN2C3=CC=CC=C3)C4=CN=C(C)N=C4)C5=CC(F)=CC=C5

InChI

InChIKey=BGKSBHPSVMJTFL-IZZNHLLZSA-N
InChI=1S/C29H32FN7O2/c1-19-27(22-15-31-20(2)32-16-22)35-37(24-10-5-4-6-11-24)28(19)34-29(38)33-26-18-36(12-13-39-3)17-25(26)21-8-7-9-23(30)14-21/h4-11,14-16,25-26H,12-13,17-18H2,1-3H3,(H2,33,34,38)/t25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H32FN7O2
Molecular Weight 529.6085
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:33:59 UTC 2023
Edited
by admin
on Fri Jul 07 00:33:59 UTC 2023
Record UNII
4D7KT2X8U2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Anizatrectinib
INN  
Official Name English
anizatrectinib [INN]
Common Name English
N-[(3S,4R)-4-(3-Fluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-N′-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]urea
Systematic Name English
Urea, N-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-N′-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]-
Systematic Name English
N-[(3S,4R)-4-(3-fluorophenyl)-1-(2- methoxyethyl)pyrrolidin-3-yl]-N'-[4-methyl-3-(2- methylpyrimidin-5-yl)-1-phenyl-1H-pyrazol-5-yl]urea
Systematic Name English
Code System Code Type Description
SMS_ID
300000047394
Created by admin on Fri Jul 07 00:33:59 UTC 2023 , Edited by admin on Fri Jul 07 00:33:59 UTC 2023
PRIMARY
PUBCHEM
92135967
Created by admin on Fri Jul 07 00:33:59 UTC 2023 , Edited by admin on Fri Jul 07 00:33:59 UTC 2023
PRIMARY
INN
12230
Created by admin on Fri Jul 07 00:33:59 UTC 2023 , Edited by admin on Fri Jul 07 00:33:59 UTC 2023
PRIMARY
FDA UNII
4D7KT2X8U2
Created by admin on Fri Jul 07 00:33:59 UTC 2023 , Edited by admin on Fri Jul 07 00:33:59 UTC 2023
PRIMARY
CAS
1824664-89-2
Created by admin on Fri Jul 07 00:33:59 UTC 2023 , Edited by admin on Fri Jul 07 00:33:59 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY