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Details

Stereochemistry ACHIRAL
Molecular Formula C27H22N6O3
Molecular Weight 478.502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DS-003

SMILES

COC1=C2C(=CNC2=C(N=C1)C3=CN=CC=N3)C(=O)C(=O)N4CCC(CC4)=C(C#N)C5=CC=CC=C5

InChI

InChIKey=VKIVEQAIBQDOFV-UHFFFAOYSA-N
InChI=1S/C27H22N6O3/c1-36-22-16-32-24(21-15-29-9-10-30-21)25-23(22)20(14-31-25)26(34)27(35)33-11-7-18(8-12-33)19(13-28)17-5-3-2-4-6-17/h2-6,9-10,14-16,31H,7-8,11-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C27H22N6O3
Molecular Weight 478.502
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:21:21 UTC 2023
Edited
by admin
on Sat Dec 16 19:21:21 UTC 2023
Record UNII
8JA2DQK7ZW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DS-003
Common Name English
α-[1-[2-[4-Methoxy-7-(2-pyrazinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]-4-piperidinylidene]benzeneacetonitrile
Systematic Name English
DS003
Common Name English
BMS-599793
Common Name English
Piperidine, 4-(cyanophenylmethylene)-1-[(4-methoxy-7-pyrazinyl-1H-pyrrolo[2,3-c]pyridin-3-yl)oxoacetyl]-
Systematic Name English
Benzeneacetonitrile, α-[1-[2-[4-methoxy-7-(2-pyrazinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]-4-piperidinylidene]-
Systematic Name English
Code System Code Type Description
PUBCHEM
5279835
Created by admin on Sat Dec 16 19:21:21 UTC 2023 , Edited by admin on Sat Dec 16 19:21:21 UTC 2023
PRIMARY
CAS
676489-50-2
Created by admin on Sat Dec 16 19:21:21 UTC 2023 , Edited by admin on Sat Dec 16 19:21:21 UTC 2023
PRIMARY
FDA UNII
8JA2DQK7ZW
Created by admin on Sat Dec 16 19:21:21 UTC 2023 , Edited by admin on Sat Dec 16 19:21:21 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY