Boditrectinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24F2N6O
Molecular Weight	438.4731
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC1=CC=C(F)C(=C1)[C@H]2CCCN2C3=NC4=C(C=NN4C=C3)\C=C\C(=O)N5CCNCC5

InChI

InChIKey=BQFYCHBYISNPFW-SQZHUTIHSA-N

InChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H24F2N6O
Molecular Weight	438.4731
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:22:42 GMT 2023` Edited by `admin` on `Sat Dec 16 19:22:42 GMT 2023`
Record UNII	M359MC7QGE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Boditrectinib

Official Name

English

NOV1601

Code

English

AUM-601

Code

English

(2E)-3-{5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-1-(piperazin-1-yl)prop-2-en-1-one

Systematic Name

English

AUM601

Code

English

CHC-2014

Code

English

2-Propen-1-one, 3-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-(1-piperazinyl)-, (2E)-

Systematic Name

English

HL5101

Code

English

(R,E)-3-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1-(piperazin-1-yl)prop-2-en-1-one

Systematic Name

English

CHC2014

Code

English

boditrectinib [INN]

Common Name

English

HL-5101

Code

English

NOV-1601

Code

English

Code System Code Type Description

INN

12591