Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H20F6N8O |
| Molecular Weight | 514.4269 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1CC(F)(F)CN([C@@H]1CNC2=NC=C(C=N2)C(F)(F)F)C(=O)C3=NN(C)C=C3C4=NC=C(F)C=N4
InChI
InChIKey=VGUTUOBAEJKCGW-IAQYHMDHSA-N
InChI=1S/C21H20F6N8O/c1-11-3-20(23,24)10-35(15(11)8-32-19-30-4-12(5-31-19)21(25,26)27)18(36)16-14(9-34(2)33-16)17-28-6-13(22)7-29-17/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,30,31,32)/t11-,15-/m1/s1
| Molecular Formula | C21H20F6N8O |
| Molecular Weight | 514.4269 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 01:52:10 GMT 2025
by
admin
on
Wed Apr 02 01:52:10 GMT 2025
|
| Record UNII |
C93W0Z2YH0
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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C93W0Z2YH0
Created by
admin on Wed Apr 02 01:52:10 GMT 2025 , Edited by admin on Wed Apr 02 01:52:10 GMT 2025
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2125734-56-5
Created by
admin on Wed Apr 02 01:52:10 GMT 2025 , Edited by admin on Wed Apr 02 01:52:10 GMT 2025
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130298682
Created by
admin on Wed Apr 02 01:52:10 GMT 2025 , Edited by admin on Wed Apr 02 01:52:10 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
FUNCTIONAL ASSAY
IC50
|
![Structure of [(2S,3R)-5,5-Difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-1-piperidinyl][4-(5-fluoro-2-pyrimidinyl)-1-methyl-1H-pyrazol-3-yl]methanone](/img/90aee0d3-0a33-40a0-8962-bb7826fa24be.svg "Structure of [(2S,3R)-5,5-Difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-1-piperidinyl][4-(5-fluoro-2-pyrimidinyl)-1-methyl-1H-pyrazol-3-yl]methanone")