Methyl 4-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)-2-fluorobenzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H14F4N4O3S
Molecular Weight	478.419
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)-2-fluorobenzoate

Structure Search

SMILES

COC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CN=C(C#N)C(=C4)C(F)(F)F

InChI

InChIKey=KCBBUMNCDVJYDW-UHFFFAOYSA-N

InChI=1S/C21H14F4N4O3S/c1-32-17(30)13-4-3-11(8-15(13)22)29-19(33)28(18(31)20(29)5-2-6-20)12-7-14(21(23,24)25)16(9-26)27-10-12/h3-4,7-8,10H,2,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H14F4N4O3S
Molecular Weight	478.419
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:14:28 GMT 2025` Edited by `admin` on `Wed Apr 02 15:14:28 GMT 2025`
Record UNII	67WX8FU9YU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)-2-fluorobenzoate

Systematic Name

English

Benzoic acid, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-, methyl ester

Preferred Name

English

Methyl 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluorobenzoate

Systematic Name

English

Code System Code Type Description

FDA UNII

67WX8FU9YU

Created by admin on Wed Apr 02 15:14:28 GMT 2025 , Edited by admin on Wed Apr 02 15:14:28 GMT 2025

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PUBCHEM

90284890

Created by admin on Wed Apr 02 15:14:28 GMT 2025 , Edited by admin on Wed Apr 02 15:14:28 GMT 2025

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CAS

1950587-19-5

Created by admin on Wed Apr 02 15:14:28 GMT 2025 , Edited by admin on Wed Apr 02 15:14:28 GMT 2025

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