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Details

Stereochemistry ACHIRAL
Molecular Formula C33H44N8O4
Molecular Weight 616.7537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidine-5-carboxylate

SMILES

COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC2=NC=C(C(=O)OC(C)C)C(=N2)N3CC(C)(C)C4=NC(C)=CC=C34

InChI

InChIKey=MJRBYEUXKLIWGY-UHFFFAOYSA-N
InChI=1S/C33H44N8O4/c1-11-28(42)36-23-16-24(27(44-10)17-26(23)40(9)15-14-39(7)8)37-32-34-18-22(31(43)45-20(2)3)30(38-32)41-19-33(5,6)29-25(41)13-12-21(4)35-29/h11-13,16-18,20H,1,14-15,19H2,2-10H3,(H,36,42)(H,34,37,38)

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Pyrimidinecarboxylic acid, 4-(2,3-dihydro-3,3,5-trimethyl-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-, 1-methylethyl ester
Preferred Name English
Propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidine-5-carboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
7BM54KFF7Y
Created by admin on Wed Apr 02 17:23:49 GMT 2025 , Edited by admin on Wed Apr 02 17:23:49 GMT 2025
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CAS
2898583-17-8
Created by admin on Wed Apr 02 17:23:49 GMT 2025 , Edited by admin on Wed Apr 02 17:23:49 GMT 2025
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PUBCHEM
167451280
Created by admin on Wed Apr 02 17:23:49 GMT 2025 , Edited by admin on Wed Apr 02 17:23:49 GMT 2025
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