Basroparib
5-[4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-methyl-6H-triazolo[4,5-d]pyrimidin-7-one
Molecular Identity
Basroparib
5-[4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-methyl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID: 137017382
2D Structure
Properties
C18H21F2N7O3
Molecular Formula
421.40
Molecular Weight
g/mol
421.1674
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
97.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
637
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(C(=O)NC(=N2)N3CCN(CC3)C4=C(C=C(C=C4F)OCCOC)F)N=N1Isomeric SMILES
SMILES: CN1C2=C(C(=O)NC(=N2)N3CCN(CC3)C4=C(C=C(C=C4F)OCCOC)F)N=N1Synonyms(20)
Basroparib1858179-75-5Basroparib [INN]P5LYN8CD74STP10025-(4-(2,6-Difluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one5-[4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-methyl-6H-triazolo[4,5-d]pyrimidin-7-one7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 5-(4-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-1-piperazinyl)-3,6-dihydro-3-methyl-5-(4-(2,6-Difluoro-4-(2- methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6- dihydro-7H-(1,2,3)triazolo(4,5-d)pyrimidin-7-one5-(4-(2,6-Difluoro-4-(2-methoxyethoxy)phenyl)-1-piperazinyl)-3,6-dihydro-3-methyl-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one5-[4-[2,6-Difluoro-4-(2-methoxyethoxy)phenyl]-1-piperazinyl]-3,6-dihydro-3-methyl-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one5-{4-[2,6-difluoro-4-(2- methoxyethoxy)phenyl]piperazin-1-yl}-3-methyl-3,6- dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-oneUNII-P5LYN8CD74orb1687795CHEMBL5095091
Data from PubChem (NCBI)
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