(3S,4R)-3-ETHYL-4-(3H-IMIDAZO(1,2-A)PYRROLO(2,3-E)PYRAZIN-8-YL)-N-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PYRROLIDINE-1-CARBOXAMIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H19F3N6O2
Molecular Weight	396.367
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S,4R)-3-ETHYL-4-(3H-IMIDAZO(1,2-A)PYRROLO(2,3-E)PYRAZIN-8-YL)-N-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PYRROLIDINE-1-CARBOXAMIDE

Structure Search

SMILES

CC[C@@H]1CN(C[C@@H]1C2=CN=C3C=NC4=C(C=CN4)N23)C(=O)NC(O)C(F)(F)F

InChI

InChIKey=QUJNFFXMPVZDEQ-ODLMARSHSA-N

InChI=1S/C17H19F3N6O2/c1-2-9-7-25(16(28)24-15(27)17(18,19)20)8-10(9)12-5-22-13-6-23-14-11(26(12)13)3-4-21-14/h3-6,9-10,15,21,27H,2,7-8H2,1H3,(H,24,28)/t9-,10+,15?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H19F3N6O2
Molecular Weight	396.367
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:04:27 UTC 2023` Edited by `admin` on `Sat Dec 16 15:04:27 UTC 2023`
Record UNII	7AM4F4K5VA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(3S,4R)-3-ETHYL-4-(3H-IMIDAZO(1,2-A)PYRROLO(2,3-E)PYRAZIN-8-YL)-N-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PYRROLIDINE-1-CARBOXAMIDE

Systematic Name

English

UPADACITINIB METABOLITE M22

Common Name

English

Code System Code Type Description

FDA UNII

7AM4F4K5VA

Created by admin on Sat Dec 16 15:04:28 UTC 2023 , Edited by admin on Sat Dec 16 15:04:28 UTC 2023

PRIMARY

PUBCHEM

165412001

Created by admin on Sat Dec 16 15:04:28 UTC 2023 , Edited by admin on Sat Dec 16 15:04:28 UTC 2023

PRIMARY

Related Record Type Details


					4RA0KN46E0

UPADACITINIB

PARENT -> METABOLITE

Interaction Type:

TRACE

Qualification:

FECAL; URINE