Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21F2N5O |
| Molecular Weight | 361.389 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=C3C(NC=C3[C@H]4CC4(F)F)=NC=N2
InChI
InChIKey=KULMFWJHZABAFA-DMDPSCGWSA-N
InChI=1S/C18H21F2N5O/c1-3-14(26)25-8-11(5-4-10(25)2)24-17-15-12(13-6-18(13,19)20)7-21-16(15)22-9-23-17/h3,7,9-11,13H,1,4-6,8H2,2H3,(H2,21,22,23,24)/t10-,11+,13+/m0/s1
| Molecular Formula | C18H21F2N5O |
| Molecular Weight | 361.389 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 13:40:21 GMT 2025
by
admin
on
Wed Apr 02 13:40:21 GMT 2025
|
| Record UNII |
JKD3CP7SWF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Systematic Name | English |
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JKD3CP7SWF
Created by
admin on Wed Apr 02 13:40:21 GMT 2025 , Edited by admin on Wed Apr 02 13:40:21 GMT 2025
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146343907
Created by
admin on Wed Apr 02 13:40:21 GMT 2025 , Edited by admin on Wed Apr 02 13:40:21 GMT 2025
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2411407-25-3
Created by
admin on Wed Apr 02 13:40:21 GMT 2025 , Edited by admin on Wed Apr 02 13:40:21 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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![Structure of 1-[(2S,5R)-5-[[5-[(1R)-2,2-Difluorocyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methyl-1-piperidinyl]-2-propen-1-one](/img/69f48898-1244-4f0c-a24e-6d507b3dfbd6.svg "Structure of 1-[(2S,5R)-5-[[5-[(1R)-2,2-Difluorocyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methyl-1-piperidinyl]-2-propen-1-one")