FENEBRUTINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H44N8O4
Molecular Weight	664.7965
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CN(CCN1C2=CN=C(NC3=CC(=CN(C)C3=O)C4=CC=NC(N5CCN6C(=CC7=C6CC(C)(C)C7)C5=O)=C4CO)C=C2)C8COC8

InChI

InChIKey=WNEODWDFDXWOLU-QHCPKHFHSA-N

InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H44N8O4
Molecular Weight	664.7965
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 `Sat Dec 16 08:26:24 UTC 2023` Edited by `admin` on `Sat Dec 16 08:26:24 UTC 2023`
Record UNII	E9L2885WUL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FENEBRUTINIB

Official Name

English

G-02599853

Code

English

fenebrutinib [INN]

Common Name

English

RG-7845

Code

English

RO7010939

Code

English

RG7845

Code

English

GDC-0853

Code

English

G02599853

Code

English

RO-7010939

Code

English

2H-CYCLOPENTA(4,5)PYRROLO(1,2-A)PYRAZIN-1(6H)-ONE, 2-(1,6-DIHYDRO-3'-(HYDROXYMETHYL)-1-METHYL-5-((5-((2S)-2-METHYL-4-(3-OXETANYL)-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-6-OXO(3,4'-BIPYRIDIN)-2'-YL)-3,4,7,8-TETRAHYDRO-7,7-DIMETHYL-

Systematic Name

English

FENEBRUTINIB [USAN]

Common Name

English

(S)-2-(3'-(HYDROXYMETHYL)-1-METHYL-5-((5-(2-METHYL- 4-(OXETAN-3-YL)PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-6-OXO-1,6-DIHYDRO-(3,4'-BIPYRIDIN)-2'-YL)-7,7-DIMETHYL-2,3,4,6,7,8-HEXAHYDRO-1H-CYCLOPENTA (4,5)PYRROLO(1,2-A)PYRAZIN-1-ONE

Systematic Name

English

Fenebrutinib [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825