2-[(1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H35ClN4O3
Molecular Weight	571.109
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[(1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoic acid

Structure Search

SMILES

CC1(C)CCC(CN2CCN(CC2)C3=CC=C(C(O)=O)C(OC4=CC5=C(NC=C5)N=C4)=C3)=C(C1)C6=CC=C(Cl)C=C6

InChI

InChIKey=DMRMYQUGHOAQFW-UHFFFAOYSA-N

InChI=1S/C33H35ClN4O3/c1-33(2)11-9-24(29(19-33)22-3-5-25(34)6-4-22)21-37-13-15-38(16-14-37)26-7-8-28(32(39)40)30(18-26)41-27-17-23-10-12-35-31(23)36-20-27/h3-8,10,12,17-18,20H,9,11,13-16,19,21H2,1-2H3,(H,35,36)(H,39,40)

HIDE SMILES / InChI

Molecular Formula	C33H35ClN4O3
Molecular Weight	571.109
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 19:04:05 GMT 2025` Edited by `admin` on `Wed Apr 02 19:04:05 GMT 2025`
Record UNII	MC6KY7H5R6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid

Preferred Name

English

2-[(1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoic acid

Systematic Name

English

Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

66713100

Created by admin on Wed Apr 02 19:04:05 GMT 2025 , Edited by admin on Wed Apr 02 19:04:05 GMT 2025

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FDA UNII

MC6KY7H5R6

Created by admin on Wed Apr 02 19:04:05 GMT 2025 , Edited by admin on Wed Apr 02 19:04:05 GMT 2025

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CAS

1235865-77-6

Created by admin on Wed Apr 02 19:04:05 GMT 2025 , Edited by admin on Wed Apr 02 19:04:05 GMT 2025

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