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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28ClN5O3S
Molecular Weight 478.007
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(7-(((1R)-1-((3-CHLORO-2-THIENYL)METHYL)PROPYL)AMINO)-3H-IMIDAZO(4,5-B)PYRIDIN-3-YL)-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE, (1S,2R,3S,4R)-

SMILES

CCNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CC=C3N[C@H](CC)CC4=C(Cl)C=CS4

InChI

InChIKey=DNPNXAXAKNFJDD-GFOALDQYSA-N
InChI=1S/C22H28ClN5O3S/c1-3-12(9-17-14(23)6-8-32-17)27-15-5-7-25-21-18(15)26-11-28(21)16-10-13(19(29)20(16)30)22(31)24-4-2/h5-8,11-13,16,19-20,29-30H,3-4,9-10H2,1-2H3,(H,24,31)(H,25,27)/t12-,13+,16-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28ClN5O3S
Molecular Weight 478.007
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:14:26 GMT 2025
Edited
by admin
on Mon Mar 31 18:14:26 GMT 2025
Record UNII
85CCL08543
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(7-(((1R)-1-((3-CHLORO-2-THIENYL)METHYL)PROPYL)AMINO)-3H-IMIDAZO(4,5-B)PYRIDIN-3-YL)-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE, (1S,2R,3S,4R)-
Systematic Name English
CYCLOPENTANECARBOXAMIDE, 4-(7-(((1R)-1-((3-CHLORO-2-THIENYL)METHYL)PROPYL)AMINO)-3H-IMIDAZO(4,5-B)PYRIDIN-3-YL)-N-ETHYL-2,3-DIHYDROXY-, (1S,2R,3S,4R)-
Preferred Name English
CYCLOPENTANECARBOXAMIDE, 4-(7-((1-((3-CHLORO-2-THIENYL)METHYL)PROPYL)AMINO)-3H-IMIDAZO(4,5-B)PYRIDIN-3-YL)-N-ETHYL-2,3-DIHYDROXY-, (1S-(1.ALPHA.,2.BETA.,3.BETA.,4.ALPHA.(S*)))
Systematic Name English
Code System Code Type Description
CAS
143395-98-6
Created by admin on Mon Mar 31 18:14:26 GMT 2025 , Edited by admin on Mon Mar 31 18:14:26 GMT 2025
PRIMARY
FDA UNII
85CCL08543
Created by admin on Mon Mar 31 18:14:26 GMT 2025 , Edited by admin on Mon Mar 31 18:14:26 GMT 2025
PRIMARY
PUBCHEM
6918429
Created by admin on Mon Mar 31 18:14:26 GMT 2025 , Edited by admin on Mon Mar 31 18:14:26 GMT 2025
PRIMARY