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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H15ClF7N5O2
Molecular Weight 513.797
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UMIBECESTAT

SMILES

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)C2=C(F)C=CC(NC(=O)C3=NC=C(C=C3Cl)C(F)(F)F)=N2

InChI

InChIKey=PSBBWFNMHDUTRH-DLBZAZTESA-N
InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H15ClF7N5O2
Molecular Weight 513.797
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:28:06 GMT 2023
Edited
by admin
on Sat Dec 16 11:28:06 GMT 2023
Record UNII
4612B80545
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UMIBECESTAT
USAN   INN  
Official Name English
2-PYRIDINECARBOXAMIDE, N-(6-((3R,6R)-5-AMINO-3,6-DIHYDRO-3,6-DIMETHYL-6-(TRIFLUOROMETHYL)-2H-1,4-OXAZIN-3-YL)-5-FLUORO-2-PYRIDINYL)-3-CHLORO-5-(TRIFLUOROMETHYL)-
Systematic Name English
NVP-CNP520-NXA
Code English
CNP520NXA
Code English
CNP520-NXA
Code English
NVPCNP520NXA
Code English
umibecestat [INN]
Common Name English
UMIBECESTAT [USAN]
Common Name English
N-{6-[(3R,6R)-5-Amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl}-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
Systematic Name English
Code System Code Type Description
FDA UNII
4612B80545
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
PUBCHEM
88602735
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
NCI_THESAURUS
C166726
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
SMS_ID
100000183610
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
INN
10872
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
USAN
GH-175
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
CAS
1387560-01-1
Created by admin on Sat Dec 16 11:28:06 GMT 2023 , Edited by admin on Sat Dec 16 11:28:06 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY