1-PYRROLIDINECARBOXAMIDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-

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)-

Structure Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 16:18:20 UTC 2023`
Record UNII	LKY53X4ZHS
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 16:18:20 UTC 2023

PRIMARY

FDA UNII

LKY53X4ZHS

Created by admin on Sat Dec 16 16:18:20 UTC 2023 , Edited by admin on Sat Dec 16 16:18:20 UTC 2023

PRIMARY

CAS

1424035-21-1

Created by admin on Sat Dec 16 16:18:20 UTC 2023 , Edited by admin on Sat Dec 16 16:18:20 UTC 2023

PRIMARY

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