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Details

Stereochemistry ACHIRAL
Molecular Formula C18H11F2N7O
Molecular Weight 379.323
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-38877605 metabolite 3.2

SMILES

OC1=NC2=CC=C(C=C2C=C1)C(F)(F)C3=NN=C4C=CC(=NN34)C5=CNN=C5

InChI

InChIKey=JCVFQQMQKIWKOV-UHFFFAOYSA-N
InChI=1S/C18H11F2N7O/c19-18(20,12-2-3-13-10(7-12)1-6-16(28)23-13)17-25-24-15-5-4-14(26-27(15)17)11-8-21-22-9-11/h1-9H,(H,21,22)(H,23,28)

HIDE SMILES / InChI

Molecular Formula C18H11F2N7O
Molecular Weight 379.323
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 19:51:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:49 GMT 2023
Record UNII
GW2GD2S2HK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-38877605 metabolite 3.2
Common Name English
2(1H)-Quinolinone, 6-[difluoro[6-(1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-
Systematic Name English
6-[Difluoro[6-(1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-2(1H)-quinolinone
Common Name English
Code System Code Type Description
FDA UNII
GW2GD2S2HK
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY
PUBCHEM
137093049
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY
CAS
1936472-44-4
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE TOXIC