TPX-0131
(18S)-18-(difluoromethyl)-13-fluoro-7,7-dimethyl-9,20-dioxa-1,2,6,17,23-pentazapentacyclo[19.3.1.04,24.010,15.017,22]pentacosa-2,4(24),10(15),11,13,21(25),22-heptaen-5-one
Molecular Identity
TPX-0131
(18S)-18-(difluoromethyl)-13-fluoro-7,7-dimethyl-9,20-dioxa-1,2,6,17,23-pentazapentacyclo[19.3.1.04,24.010,15.017,22]pentacosa-2,4(24),10(15),11,13,21(25),22-heptaen-5-one
PubChem CID: 156024486
2D Structure
Properties
C21H20F3N5O3
Molecular Formula
447.40
Molecular Weight
g/mol
447.1518
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
81
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
716
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TPX-0131Zotizalkib2648641-36-31,18-Metheno-13H-(1,4)oxazino(3,4-i)pyrazolo(4,3-F)(1,4,8,10)benzoxatriazacyclotridecin-4(5H)-one, 15-(difluoromethyl)-11-fluoro-6,7,15,16-tetrahydro-6,6-dimethyl-, (15S)-18,1-Metheno-6H-(1,4)oxazino(3,4-i)pyrazolo(4,3-F)(1,4,8,10)benzoxatriazacyclotridecin-15(12H)-one, 4-(difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-, (4S)-RefChem:190535ALK Inhibitor TPX-0131TPX01315BKJ4Z6RBUTpx 0131(18S)-18-(difluoromethyl)-13-fluoro-7,7-dimethyl-9,20-dioxa-1,2,6,17,23-pentazapentacyclo[19.3.1.04,24.010,15.017,22]pentacosa-2,4(24),10(15),11,13,21(25),22-heptaen-5-one(4S)-4-(Difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-18,1-metheno-6H-[1,4]oxazino[3,4-i]pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-15(12H)-one(S,14aE,15aE)-13-(difluoromethyl)-35-fluoro-6,6-dimethyl-13,14-dihydro-12H-4-oxa-7-aza-1(4,6)-pyrazolo[1',5':1,2]pyrimido[5,4-b][1,4]oxazina-3(1,2)-benzenacyclooctaphan-8-onezotizalkib [INN]UNII-5BKJ4Z6RBU
Data from PubChem (NCBI)
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