Ifidancitinib
5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
Molecular Identity
Ifidancitinib
5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID: 46851625
2D Structure
Properties
C20H18FN5O3
Molecular Formula
395.40
Molecular Weight
g/mol
395.1394
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
97.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
584
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1F)OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(=O)N4)CIsomeric SMILES
SMILES: CC1=CC(=CC(=C1F)OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(=O)N4)CSynonyms(20)
ifidancitinibATI-502Ifidancitinib [INN]A-301ATI-50002R105E71J135-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-oneUNII-R105E71J13IFIDANCITINIB [WHO-DD]2(3H)-Benzoxazolone, 5-((2-((4-fluoro-3-methoxy-5-methylphenyl)amino)-5-methyl-4-pyrimidinyl)amino)-5-((2-((4-Fluoro-3-methoxy-5-methylphenyl)amino)-5-methyl-4-pyrimidinyl)amino)-2(3H)-benzoxazolone5-((2-(4-Fluoro-3-methoxy-5-methylphenylamino)-5-methylpyrimidin-4-yl)amino)benzo(d)oxazol-2(3H)-one5-[[2-[(4-Fluoro-3-methoxy-5-methylphenyl)amino]-5-methyl-4-pyrimidinyl]amino]-2(3H)-benzoxazolone5-((2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl)amino)-3H-1,3-benzoxazol-2-oneRefChem:147735
Data from PubChem (NCBI)
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