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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H12F5N7O
Molecular Weight 425.3155
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(5-Fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-6-methyl-5H-1,2,3-triazolo[4,5-c]pyridin-5-yl][3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone, [(6R)-

SMILES

C[C@@H]1CC2=C(CN1C(=O)C3=CC=NC(=C3F)C(F)(F)F)N=NN2C4=NC=C(F)C=N4

InChI

InChIKey=LMDWZBQISRTEBH-MRVPVSSYSA-N
InChI=1S/C17H12F5N7O/c1-8-4-12-11(26-27-29(12)16-24-5-9(18)6-25-16)7-28(8)15(30)10-2-3-23-14(13(10)19)17(20,21)22/h2-3,5-6,8H,4,7H2,1H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H12F5N7O
Molecular Weight 425.3155
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:51:52 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:52 GMT 2023
Record UNII
JYD89D6CSY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5-Fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-6-methyl-5H-1,2,3-triazolo[4,5-c]pyridin-5-yl][3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone, [(6R)-
Systematic Name English
[(6R)-1-(5-Fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-6-methyl-5H-1,2,3-triazolo[4,5-c]pyridin-5-yl][3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
Systematic Name English
Methanone, [(6R)-1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-6-methyl-5H-1,2,3-triazolo[4,5-c]pyridin-5-yl][3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
JYD89D6CSY
Created by admin on Sat Dec 16 19:51:52 GMT 2023 , Edited by admin on Sat Dec 16 19:51:52 GMT 2023
PRIMARY
PUBCHEM
168429537
Created by admin on Sat Dec 16 19:51:52 GMT 2023 , Edited by admin on Sat Dec 16 19:51:52 GMT 2023
PRIMARY
CAS
1627903-14-3
Created by admin on Sat Dec 16 19:51:52 GMT 2023 , Edited by admin on Sat Dec 16 19:51:52 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER