Tuspetinib
5-chloro-N-[3-cyclopropyl-5-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
Molecular Identity
Tuspetinib
5-chloro-N-[3-cyclopropyl-5-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID: 135390910
2D Structure
Properties
C29H33ClN6
Molecular Formula
501.10
Molecular Weight
g/mol
500.2455
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
68.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
725
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CC(N1)C)CC2=CC(=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=C4C=CC(=C5)C)Cl)C6CC6Isomeric SMILES
SMILES: C[C@@H]1CN(C[C@@H](N1)C)CC2=CC(=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=C4C=CC(=C5)C)Cl)C6CC6Synonyms(20)
tuspetinibHM43239HM-43239example 8 [US10870639B2]example 8 (US10870639B2)RefChem:192598FLT3 Inhibitor HM43239HM 43239FMS-like Tyrosine Kinase 3 Inhibitor HM432392294874-49-82569527-64-4C0WUS7XXE9rel-5-Chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine5-Chloro-N-(3-cyclopropyl-5-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)-, rel-
Data from PubChem (NCBI)
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