Exarafenib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34F3N5O3
Molecular Weight	521.5751
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CO)NC1=NC(=CC(=C1)C2=C(C)C=CC(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)=C2)N4CCOCC4

InChI

InChIKey=GZMYLSJUNSCMTD-MOPGFXCFSA-N

InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H34F3N5O3
Molecular Weight	521.5751
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 `Sat Dec 16 18:34:39 UTC 2023` Edited by `admin` on `Sat Dec 16 18:34:39 UTC 2023`
Record UNII	2VPX8HL8AB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Exarafenib

Official Name

English

KIN-2787 FREE BASE

Code

English

1-Pyrrolidinecarboxamide, N-[3-[2-[[(1R)-2-hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)-, (3S)-

Systematic Name

English

exarafenib [INN]

Common Name

English

(3S)-N-{3-[2-{[(2R)-1-hydroxypropan-2-yl]amino}-6- (morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-3-(2,2,2- trifluoroethyl)pyrrolidine-1-carboxamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

156297592