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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25F2N7O3
Molecular Weight 425.433
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

NC(=O)N1C[C@H](C[C@H]1C(=O)N2CCC(F)(F)C2)N3CCN(CC3)C4=NC=C(O)C=N4

InChI

InChIKey=VCCFQBLZHYOGRY-JSGCOSHPSA-N
InChI=1S/C18H25F2N7O3/c19-18(20)1-2-26(11-18)15(29)14-7-12(10-27(14)16(21)30)24-3-5-25(6-4-24)17-22-8-13(28)9-23-17/h8-9,12,14,28H,1-7,10-11H2,(H2,21,30)/t12-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H25F2N7O3
Molecular Weight 425.433
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 16:18:20 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:20 GMT 2023
Record UNII
LKY53X4ZHS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PYRROLIDINECARBOXAMIDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-
Systematic Name English
PF-00734200 METABOLITE M17
Common Name English
Code System Code Type Description
PUBCHEM
118753069
Created by admin on Sat Dec 16 16:18:20 GMT 2023 , Edited by admin on Sat Dec 16 16:18:20 GMT 2023
PRIMARY
FDA UNII
LKY53X4ZHS
Created by admin on Sat Dec 16 16:18:20 GMT 2023 , Edited by admin on Sat Dec 16 16:18:20 GMT 2023
PRIMARY
CAS
1424035-21-1
Created by admin on Sat Dec 16 16:18:20 GMT 2023 , Edited by admin on Sat Dec 16 16:18:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE