Iruplinalkib
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine
Molecular Identity
Iruplinalkib
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID: 118639856
2D Structure
Properties
C29H38ClN6O2P
Molecular Formula
569.10
Molecular Weight
g/mol
568.2482
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
82.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
829
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OCIsomeric SMILES
SMILES: CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OCSynonyms(20)
Iruplinalkib1854943-32-0Iruplinalkib [INN]Z5F65W1YAZQixinkeWX-05935-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamineexample 9 [US10053477B2]WX05932,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)phenyl)-5-Chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)phenyl)-2,4-pyrimidinediamineexample 9 (US10053477B2)5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-(9-methyl-3,9-diazaspiro(5.5)undecan-3-yl)phenyl)pyrimidine-2,4-diamineRefChem:148870ALK Inhibitor WX-0593
Data from PubChem (NCBI)
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