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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24F2N6O2
Molecular Weight 382.4083
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHANONE, (3,3-DIFLUORO-1-PYRROLIDINYL)((2S,4S)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-

SMILES

OC1=CN=C(N=C1)N2CCN(CC2)[C@@H]3CN[C@@H](C3)C(=O)N4CCC(F)(F)C4

InChI

InChIKey=KVBSCTHYNPVKDO-JSGCOSHPSA-N
InChI=1S/C17H24F2N6O2/c18-17(19)1-2-25(11-17)15(27)14-7-12(8-20-14)23-3-5-24(6-4-23)16-21-9-13(26)10-22-16/h9-10,12,14,20,26H,1-8,11H2/t12-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H24F2N6O2
Molecular Weight 382.4083
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 16:11:47 UTC 2023
Edited
by admin
on Sat Dec 16 16:11:47 UTC 2023
Record UNII
UAW79YE7GF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHANONE, (3,3-DIFLUORO-1-PYRROLIDINYL)((2S,4S)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-
Systematic Name English
PF-00734200 METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
UAW79YE7GF
Created by admin on Sat Dec 16 16:11:47 UTC 2023 , Edited by admin on Sat Dec 16 16:11:47 UTC 2023
PRIMARY
PUBCHEM
118753121
Created by admin on Sat Dec 16 16:11:47 UTC 2023 , Edited by admin on Sat Dec 16 16:11:47 UTC 2023
PRIMARY
CAS
1424035-04-0
Created by admin on Sat Dec 16 16:11:47 UTC 2023 , Edited by admin on Sat Dec 16 16:11:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE
PARENT -> METABOLITE
PLASMA