(3,3-DIFLUOROPYRROLIDIN-1-YL)-((2S,4S)-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)PYRROLIDIN-2-YL)METHANONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H34F2N6O6
Molecular Weight	528.5495
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3,3-DIFLUOROPYRROLIDIN-1-YL)-((2S,4S)-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)PYRROLIDIN-2-YL)METHANONE

Structure Search

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C[C@H](C[C@H]2C(=O)N3CCC(F)(F)C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChIKey=XEPYKZIDLULSRS-OXZOJPPVSA-N

InChI=1S/C23H34F2N6O6/c24-23(25)2-5-30(13-23)20(36)15-10-14(28-6-8-29(9-7-28)22-26-3-1-4-27-22)11-31(15)21-19(35)18(34)17(33)16(12-32)37-21/h1,3-4,14-19,21,32-35H,2,5-13H2/t14-,15-,16+,17+,18-,19+,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3,3-DIFLUOROPYRROLIDIN-1-YL)-((2S,4S)-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)PYRROLIDIN-2-YL)METHANONE

Systematic Name

English

PF-00734200 METABOLITE M15

Common Name

English

Code System Code Type Description

FDA UNII

T71M9HVH8X

Created by admin on Sat Dec 16 16:50:01 GMT 2023 , Edited by admin on Sat Dec 16 16:50:01 GMT 2023

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PUBCHEM

118753339