tert-Butyl N-[[3-[5-[[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H34F4N6O3
Molecular Weight	662.6765
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl N-[[3-[5-[[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Structure Search

SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2N=C(C=C2C(=O)NC3=CC(=CC=C3F)[C@H](NCC4CC4)C5=CC=CC(=C5)C#N)C(F)(F)F

InChI

InChIKey=QXTZFOUNDMCHDD-WJOKGBTCSA-N

InChI=1S/C35H34F4N6O3/c1-34(2,3)48-33(47)42-20-23-7-5-9-26(15-23)45-29(17-30(44-45)35(37,38)39)32(46)43-28-16-25(12-13-27(28)36)31(41-19-21-10-11-21)24-8-4-6-22(14-24)18-40/h4-9,12-17,21,31,41H,10-11,19-20H2,1-3H3,(H,42,47)(H,43,46)/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H34F4N6O3
Molecular Weight	662.6765
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:25:25 GMT 2025` Edited by `admin` on `Wed Apr 02 20:25:25 GMT 2025`
Record UNII	MK95WXP6MU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl N-[[3-[5-[[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Systematic Name

English

tert-Butyl N-[[3-[5-[[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluoro-phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Preferred Name

English

Code System Code Type Description

FDA UNII

MK95WXP6MU

Created by admin on Wed Apr 02 20:25:25 GMT 2025 , Edited by admin on Wed Apr 02 20:25:25 GMT 2025

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CAS

2602377-16-0

Created by admin on Wed Apr 02 20:25:25 GMT 2025 , Edited by admin on Wed Apr 02 20:25:25 GMT 2025

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PUBCHEM

155107533

Created by admin on Wed Apr 02 20:25:25 GMT 2025 , Edited by admin on Wed Apr 02 20:25:25 GMT 2025

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