Emzeltrectinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H15F3N6O
Molecular Weight	376.3358
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C1=C2N=C(C=CN2N=C1N)N3C[C@@H](F)C[C@@H]3C4=C(F)C=CC(F)=C4

InChI

InChIKey=YFTARXQOKASKBW-JOYOIKCWSA-N

InChI=1S/C17H15F3N6O/c18-8-1-2-11(20)10(5-8)12-6-9(19)7-25(12)13-3-4-26-17(23-13)14(16(22)27)15(21)24-26/h1-5,9,12H,6-7H2,(H2,21,24)(H2,22,27)/t9-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H15F3N6O
Molecular Weight	376.3358
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 19:48:36 UTC 2023` Edited by `admin` on `Sat Dec 16 19:48:36 UTC 2023`
Record UNII	436Z4BZ8HF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Emzeltrectinib

Official Name

English

2-Amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoro-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systematic Name

English

2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]- pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systematic Name

English

Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoro-1-pyrrolidinyl]-

Systematic Name

English

emzeltrectinib [INN]

Common Name

English

Code System Code Type Description

PUBCHEM

134480550