4-CYANO-N-(2-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)-6-(2-(HYDROXYMETHYL)-2,6,6-TRIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

Details

Stereochemistry	MIXED
Molecular Formula	C27H35N5O3
Molecular Weight	477.5985
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-CYANO-N-(2-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)-6-(2-(HYDROXYMETHYL)-2,6,6-TRIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

Structure Search

SMILES

CC1(C)CCC(=CC1)C2=NC(=CC=C2NC(=O)C3=NC=C(N3)C#N)C4CC(C)(C)OC(C)(CO)C4

InChI

InChIKey=YZMMABBFRTZKTK-UHFFFAOYSA-N

InChI=1S/C27H35N5O3/c1-25(2)10-8-17(9-11-25)22-21(32-24(34)23-29-15-19(14-28)30-23)7-6-20(31-22)18-12-26(3,4)35-27(5,13-18)16-33/h6-8,15,18,33H,9-13,16H2,1-5H3,(H,29,30)(H,32,34)

HIDE SMILES / InChI

Molecular Formula	C27H35N5O3
Molecular Weight	477.5985
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:36:18 UTC 2023` Edited by `admin` on `Sat Dec 16 10:36:18 UTC 2023`
Record UNII	ZZE7Y6QA4R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-CYANO-N-(2-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)-6-(2-(HYDROXYMETHYL)-2,6,6-TRIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

Systematic Name

English

JNJ-40346527 METABOLITE M7

Code

English

1H-IMIDAZOLE-2-CARBOXAMIDE, 5-CYANO-N-(2-(4,4-DIMETHYL-1-CYCLOHEXEN-1-YL)-6-(TETRAHYDRO-2-(HYDROXYMETHYL)-2,6,6-TRIMETHYL-2H-PYRAN-4-YL)-3-PYRIDINYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

86271513

Created by admin on Sat Dec 16 10:36:18 UTC 2023 , Edited by admin on Sat Dec 16 10:36:18 UTC 2023

PRIMARY

FDA UNII

ZZE7Y6QA4R

Created by admin on Sat Dec 16 10:36:18 UTC 2023 , Edited by admin on Sat Dec 16 10:36:18 UTC 2023

PRIMARY

CAS

1628418-26-7

Created by admin on Sat Dec 16 10:36:18 UTC 2023 , Edited by admin on Sat Dec 16 10:36:18 UTC 2023

PRIMARY

Related Record Type Details


					3NU609VYNF

EDICOTINIB

PARENT -> METABOLITE ACTIVE

Interaction Type:

IN-VIVO

Qualification:

Scientific Literature