Atirmociclib
(3S,4R)-4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]oxan-3-ol
Molecular Identity
Atirmociclib
(3S,4R)-4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]oxan-3-ol
PubChem CID: 146219790
2D Structure
Properties
C22H27ClFN5O3
Molecular Formula
463.90
Molecular Weight
g/mol
463.1786
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
647
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1C2=C(C(=CC(=C2)C3=NC(=NC=C3Cl)NC4CCOCC4O)F)N=C1C(C)(C)OIsomeric SMILES
SMILES: CC(C)N1C2=C(C(=CC(=C2)C3=NC(=NC=C3Cl)N[C@@H]4CCOC[C@H]4O)F)N=C1C(C)(C)OSynonyms(20)
2380321-51-5AtirmociclibPF07220060S743GOJ5LJRefChem:1077331CDK4/6-IN-6PF-07220060(3S,4R)-4-((5-Chloro-4-(4-fluoro-2-(2-hydroxypropan-2-yl)-1-isopropyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)tetrahydro-2H-pyran-3-olAtirmociclib (USAN)ATIRMOCICLIB [USAN]A1AZ4(3S,4R)-4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]oxan-3-olatirmociclib [INN]Atirmociclib [WHO-DD]orb1473102
Data from PubChem (NCBI)
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