Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H25ClN6O2 |
| Molecular Weight | 476.958 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC=NC2=C1C(=NN2[C@@H]3CCCN(C3)C(=O)CCCl)C4=CC=C(OC5=CC=CC=C5)C=C4
InChI
InChIKey=VJQOEGZWPHTCTQ-GOSISDBHSA-N
InChI=1S/C25H25ClN6O2/c26-13-12-21(33)31-14-4-5-18(15-31)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12-15H2,(H2,27,28,29)/t18-/m1/s1
| Molecular Formula | C25H25ClN6O2 |
| Molecular Weight | 476.958 |
| 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
Edited
Wed Apr 02 13:56:04 GMT 2025
by
admin
on
Wed Apr 02 13:56:04 GMT 2025
|
| Record UNII |
NA99JX9VTS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
58223322
Created by
admin on Wed Apr 02 13:56:04 GMT 2025 , Edited by admin on Wed Apr 02 13:56:04 GMT 2025
|
PRIMARY | |||
|
1288338-96-4
Created by
admin on Wed Apr 02 13:56:04 GMT 2025 , Edited by admin on Wed Apr 02 13:56:04 GMT 2025
|
PRIMARY | |||
|
NA99JX9VTS
Created by
admin on Wed Apr 02 13:56:04 GMT 2025 , Edited by admin on Wed Apr 02 13:56:04 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ENANTIOMER -> ENANTIOMER |
|
![Structure of 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-chloro-1-propanone](/img/b1423e3b-0cc5-4905-886a-5cb7acd79e49.svg "Structure of 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-chloro-1-propanone")