U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23FN4O2
Molecular Weight 370.4206
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRANEBRUTINIB

SMILES

CC#CC(=O)N[C@H]1CCCN(C1)C2=C3C(C)=C(C)NC3=C(C=C2F)C(N)=O

InChI

InChIKey=VJPPLCNBDLZIFG-ZDUSSCGKSA-N
InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23FN4O2
Molecular Weight 370.4206
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 20:33:29 UTC 2019
Edited
by admin
on Mon Oct 21 20:33:29 UTC 2019
Record UNII
7LBRZUYSHU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRANEBRUTINIB
INN   USAN  
Official Name English
BRANEBRUTINIB [INN]
Common Name English
BMS-986195
Code English
BRANEBRUTINIB [USAN]
Common Name English
1H-INDOLE-7-CARBOXAMIDE, 5-FLUORO-2,3-DIMETHYL-4-((3S)-3-((1-OXO-2-BUTYN-1-YL)AMINO)-1-PIPERIDINYL)-
Systematic Name English
(S)-4-(3-(2-BUTYNOYLAMINO)PIPERIDIN-1-YL)-5-FLUORO-2,3-DIMETHYL-1H-INDOLE-7-CARBOXAMIDE
Systematic Name English
4-((3S)-3-(2-BUTYNOYLAMINO)-1-PIPERIDINYL)-5-FLUORO-2,3-DIMETHYL-1HINDOLE-7-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
INN
11026
Created by admin on Mon Oct 21 20:33:29 UTC 2019 , Edited by admin on Mon Oct 21 20:33:29 UTC 2019
PRIMARY
PUBCHEM
121293929
Created by admin on Mon Oct 21 20:33:29 UTC 2019 , Edited by admin on Mon Oct 21 20:33:29 UTC 2019
PRIMARY
CAS
1912445-55-6
Created by admin on Mon Oct 21 20:33:29 UTC 2019 , Edited by admin on Mon Oct 21 20:33:29 UTC 2019
PRIMARY
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