12-[(3R,4S)-4-Ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-5-carboxamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21F6N7O2
Molecular Weight	505.4169
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 12-[(3R,4S)-4-Ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-5-carboxamide

Structure Search

SMILES

CC[C@@H]1CN(C[C@@H]1C2=CN=C3C=NC4=C(C=CN4C(=O)NCC(F)(F)F)N23)C(=O)NCC(F)(F)F

InChI

InChIKey=WHRQTFAKBJNQRU-NEPJUHHUSA-N

InChI=1S/C20H21F6N7O2/c1-2-11-7-31(17(34)29-9-19(21,22)23)8-12(11)14-5-27-15-6-28-16-13(33(14)15)3-4-32(16)18(35)30-10-20(24,25)26/h3-6,11-12H,2,7-10H2,1H3,(H,29,34)(H,30,35)/t11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H21F6N7O2
Molecular Weight	505.4169
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 `Wed Apr 02 21:23:46 GMT 2025` Edited by `admin` on `Wed Apr 02 21:23:46 GMT 2025`
Record UNII	S5DL256QNL
Record Status	`Validated (UNII)`
Record Version

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Type

Language

12-[(3R,4S)-4-Ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-5-carboxamide

Preferred Name

English

Code System Code Type Description

PUBCHEM

146434010

Created by admin on Wed Apr 02 21:23:46 GMT 2025 , Edited by admin on Wed Apr 02 21:23:46 GMT 2025

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CAS

2715120-86-6

Created by admin on Wed Apr 02 21:23:46 GMT 2025 , Edited by admin on Wed Apr 02 21:23:46 GMT 2025

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FDA UNII

S5DL256QNL

Created by admin on Wed Apr 02 21:23:46 GMT 2025 , Edited by admin on Wed Apr 02 21:23:46 GMT 2025

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