Vecabrutinib
(3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide
Molecular Identity
Vecabrutinib
(3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide
PubChem CID: 72547837
2D Structure
Properties
C22H24ClF4N7O2
Molecular Formula
529.90
Molecular Weight
g/mol
529.1616
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
11
H-Bond Acceptors
809
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C(=O)N(C1)C2CN(CCC2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)ClIsomeric SMILES
SMILES: C1C[C@H](C(=O)N(C1)[C@H]2CN(CC[C@@H]2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)ClSynonyms(20)
Vecabrutinib1510829-06-7BIIB-062SNS-062BSK-4841FP0182PQ7O0OB5GUFP-0182SNS062BIIB062FP-182(3R,3'R,4'S)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxo[1,3'-bipiperidine]-4'-carboxamide(3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamidevecabrutinibum(3R,3'R,4'S)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-chloro-5-(trifluoromethyl)anilino)-2-oxo(1,3'-bipiperidine)-4'-carboxamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vecabrutinib
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