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Details

Stereochemistry RACEMIC
Molecular Formula C18H20ClN3O2
Molecular Weight 345.823
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(tert-Butyl)-3-((5-chloro-3-(hydroxymethyl)pyridin-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

SMILES

CC(C)(C)N1C(=O)C(CC2=NC=C(Cl)C=C2CO)C3=CC=CN=C13

InChI

InChIKey=ZPDUZCIPSKYVDS-UHFFFAOYSA-N
InChI=1S/C18H20ClN3O2/c1-18(2,3)22-16-13(5-4-6-20-16)14(17(22)24)8-15-11(10-23)7-12(19)9-21-15/h4-7,9,14,23H,8,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H20ClN3O2
Molecular Weight 345.823
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:04:06 GMT 2025
Edited
by admin
on Wed Apr 02 20:04:06 GMT 2025
Record UNII
8E5RUE2FRY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-Pyrrolo[2,3-b]pyridin-2-one, 3-[[5-chloro-3-(hydroxymethyl)-2-pyridinyl]methyl]-1-(1,1-dimethylethyl)-1,3-dihydro-
Preferred Name English
1-(tert-Butyl)-3-((5-chloro-3-(hydroxymethyl)pyridin-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
Systematic Name English
3-[[5-Chloro-3-(hydroxymethyl)-2-pyridinyl]methyl]-1-(1,1-dimethylethyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
Systematic Name English
Code System Code Type Description
FDA UNII
8E5RUE2FRY
Created by admin on Wed Apr 02 20:04:06 GMT 2025 , Edited by admin on Wed Apr 02 20:04:06 GMT 2025
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CAS
1455358-11-8
Created by admin on Wed Apr 02 20:04:06 GMT 2025 , Edited by admin on Wed Apr 02 20:04:06 GMT 2025
PRIMARY
PUBCHEM
71738277
Created by admin on Wed Apr 02 20:04:06 GMT 2025 , Edited by admin on Wed Apr 02 20:04:06 GMT 2025
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