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Details

Stereochemistry ACHIRAL
Molecular Formula C26H22FN7O.H2O
Molecular Weight 485.5129
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AG-13958 MONOHYDRATE

SMILES

O.CN1N=C(C)C=C1C(=O)NC2=CC(NC3=CC=C4C(NN=C4\C=C\C5=NC=CC=C5)=C3)=CC=C2F

InChI

InChIKey=CEEBKRSSENLBDD-YGCVIUNWSA-N
InChI=1S/C26H22FN7O.H2O/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17;/h3-15,29H,1-2H3,(H,30,35)(H,31,32);1H2/b11-8+;

HIDE SMILES / InChI

Approval Year

Name Type Language
AG-13958 MONOHYDRATE
Common Name English
N-(2-FLUORO-5-((3-((E)-2-(2-PYRIDYL)VINYL)-1H-INDAZOL-6-YL)AMINO)PHENYL)-2,5-DIMETHYL-PYRAZOLE-3-CARBOXAMIDE, HYDRATE
Systematic Name English
1H-PYRAZOLE-5-CARBOXAMIDE, N-(2-FLUORO-5-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)AMINO)PHENYL)-1,3-DIMETHYL-, MONOHYDRATE
Systematic Name English
1H-PYRAZOLE-5-CARBOXAMIDE, N-(2-FLUORO-5-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)AMINO)PHENYL)-1,3-DIMETHYL-, HYDRATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
15VTU0Z1XL
Created by admin on Sat Dec 16 12:12:54 UTC 2023 , Edited by admin on Sat Dec 16 12:12:54 UTC 2023
PRIMARY
PUBCHEM
126961375
Created by admin on Sat Dec 16 12:12:54 UTC 2023 , Edited by admin on Sat Dec 16 12:12:54 UTC 2023
PRIMARY
CAS
865411-27-4
Created by admin on Sat Dec 16 12:12:54 UTC 2023 , Edited by admin on Sat Dec 16 12:12:54 UTC 2023
PRIMARY