Birelentinib
[(2S,5S)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol
Molecular Identity
Birelentinib
[(2S,5S)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol
PubChem CID: 156565109
2D Structure
Properties
C23H21F2N5O3
Molecular Formula
453.40
Molecular Weight
g/mol
453.1612
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
643
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(OCC1C2=NC(=C3N2N=CN=C3N)C4=CC=C(C=C4)OC5=C(C(=CC=C5)F)F)COIsomeric SMILES
SMILES: C1C[C@H](OC[C@@H]1C2=NC(=C3N2N=CN=C3N)C4=CC=C(C=C4)OC5=C(C(=CC=C5)F)F)COSynonyms(20)
BirelentinibBTK-IN-30DZD8586DZD-85862662512-15-2[(2S,5S)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol[(2S,5S)-5-{4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl}oxan-2-yl]methanolbirelentinib [INN]Birelentinib (USAN/INN)BIRELENTINIB [USAN]orb2566759Z2F599L9GDSCHEMBL23611096GTPL13735DZD 8586 [WHO-DD]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Birelentinib
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