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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21N5O2
Molecular Weight 339.3916
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanoate

SMILES

COC(=O)C[C@H](C1CCCC1)N2C=C(C=N2)C3=NC=NC4=C3C=CN4

InChI

InChIKey=MZJMLSFSOSUEKH-OAHLLOKOSA-N
InChI=1S/C18H21N5O2/c1-25-16(24)8-15(12-4-2-3-5-12)23-10-13(9-22-23)17-14-6-7-19-18(14)21-11-20-17/h6-7,9-12,15H,2-5,8H2,1H3,(H,19,20,21)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H21N5O2
Molecular Weight 339.3916
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 Wed Apr 02 19:49:47 GMT 2025
Edited
by admin
on Wed Apr 02 19:49:47 GMT 2025
Record UNII
AXL6R5Y2SM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanoate
Systematic Name English
1H-Pyrazole-1-propanoic acid, ?-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, methyl ester, (?R)-
Preferred Name English
Code System Code Type Description
CAS
2950130-23-9
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
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FDA UNII
AXL6R5Y2SM
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
PRIMARY
PUBCHEM
168449881
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
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