1257628-77-5
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]benzamide
Molecular Identity
1257628-77-5
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]benzamide
PubChem CID: 51038269
2D Structure
Properties
C29H27F3N6O
Molecular Formula
532.60
Molecular Weight
g/mol
532.2198
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
77.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
910
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1257628-77-5olverembatinib3-((1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamideHQP13514-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamideKV1M7Q3CBPHQP-1351Benzamide, 4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]-HQP1351 free baseD-824HQP-1351 free baseHQP1351 DIMESYLATEHQP-1351 DIMESYLATE4-Methyl-N-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1H-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)benzamideBenzamide, 4-methyl-N-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1H-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)-
Data from PubChem (NCBI)
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