U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21N5O3
Molecular Weight 355.391
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Lepzacitinib

SMILES

CCOC(=O)C1=CN=C2NC=CC2=C1N[C@@H]3CCCN(C3)C(=O)CC#N

InChI

InChIKey=QQOPOYMFJLUSBI-GFCCVEGCSA-N
InChI=1S/C18H21N5O3/c1-2-26-18(25)14-10-21-17-13(6-8-20-17)16(14)22-12-4-3-9-23(11-12)15(24)5-7-19/h6,8,10,12H,2-5,9,11H2,1H3,(H2,20,21,22)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H21N5O3
Molecular Weight 355.391
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 16:31:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:31:17 GMT 2023
Record UNII
DQN3V3R84U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Lepzacitinib
USAN   INN  
Official Name English
lepzacitinib [INN]
Common Name English
LEPZACITINIB [USAN]
Common Name English
ATI1777
Code English
ATI-1777
Code English
Ethyl (3R)-4-((1-(2-cyanoacetyl)piperidin-3-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Systematic Name English
Ethyl 4-{[(3R)-1-(cyanoacetyl)piperidin-3-yl]amino}-1Hpyrrolo[ 2,3-b]pyridine-5-carboxylate
Systematic Name English
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-[[(3R)-1-(2-cyanoacetyl)-3-piperidinyl]amino]-, ethyl ester
Systematic Name English
Code System Code Type Description
USAN
LM-181
Created by admin on Sat Dec 16 16:31:17 GMT 2023 , Edited by admin on Sat Dec 16 16:31:17 GMT 2023
PRIMARY
CAS
2321488-47-3
Created by admin on Sat Dec 16 16:31:17 GMT 2023 , Edited by admin on Sat Dec 16 16:31:17 GMT 2023
PRIMARY
FDA UNII
DQN3V3R84U
Created by admin on Sat Dec 16 16:31:17 GMT 2023 , Edited by admin on Sat Dec 16 16:31:17 GMT 2023
PRIMARY
PUBCHEM
138624627
Created by admin on Sat Dec 16 16:31:17 GMT 2023 , Edited by admin on Sat Dec 16 16:31:17 GMT 2023
PRIMARY
INN
12644
Created by admin on Sat Dec 16 16:31:17 GMT 2023 , Edited by admin on Sat Dec 16 16:31:17 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IN-VITRO
TARGET -> INHIBITOR
IN-VIVO
Related Record Type Details
ACTIVE MOIETY
IN-VITRO