Sofnobrutinib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23FN8O2
Molecular Weight	498.5116
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C=C(NC2=NC(=NC(N)=N2)C3=CC=CC(N4C=CC5=CC(=CC(F)=C5C4=O)C6CC6)=C3CO)C=N1

InChI

InChIKey=RQYDQAPLARKISN-UHFFFAOYSA-N

InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)

HIDE SMILES / InChI

Molecular Formula	C26H23FN8O2
Molecular Weight	498.5116
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 `Sat Dec 16 19:34:52 GMT 2023` Edited by `admin` on `Sat Dec 16 19:34:52 GMT 2023`
Record UNII	PZP2D7F6L5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sofnobrutinib

Official Name

English

1(2H)-Isoquinolinone, 2-[3-[4-amino-6-[(1-methyl-1H-pyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoro-

Systematic Name

English

AS-0871

Code

English

2-(3-[4-Amino-6-[(1-methyl-1H-pyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinolin-1(2H)-one

Systematic Name

English

sofnobrutinib [INN]

Common Name

English

2-[3-{4-amino-6-[(1-methyl-1H-pyrazol-4-yl)amino]- 1,3,5-triazin-2-yl}-2-(hydroxymethyl)phenyl]-6- cyclopropyl-8-fluoroisoquinolin-1(2H)-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

87056204