Envonalkib
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-3-pyridinyl]pyridin-2-amine
Molecular Identity
Envonalkib
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-3-pyridinyl]pyridin-2-amine
PubChem CID: 76899983
2D Structure
Properties
C24H26Cl2FN5O2
Molecular Formula
506.40
Molecular Weight
g/mol
505.1448
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
85.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
654
Complexity
SMILES
Canonical SMILES
SMILES: CC1CNCCN1C2=NC=C(C(=C2)OC)C3=CC(=C(N=C3)N)OC(C)C4=C(C=CC(=C4Cl)F)ClIsomeric SMILES
SMILES: C[C@H]1CNCCN1C2=NC=C(C(=C2)OC)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)ClSynonyms(20)
Envonalkib1621519-26-3Envonalkib [INN]QB7KTQ7VW95-((1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-4'-methoxy-6'-((2S)-2-methyl-1-piperazinyl)(3,3'-bipyridin)-6-amine(3,3'-Bipyridin)-6-amine, 5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-4'-methoxy-6'-((2S)-2-methyl-1-piperazinyl)-example 27 [WO2014117718A1]3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]pyridin-3-yl]pyridin-2-amineexample 27 (WO2014117718A1)3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(4-methoxy-6-((2S)-2-methylpiperazin-1-yl)pyridin-3-yl)pyridin-2-amineRefChem:137065UNII-QB7KTQ7VW95-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-4'-methoxy-6'-((S)-2-methylpiperazin-1-yl)-[3,3'-bipyridin]-6-amineTQ-B3139Envonalkib [WHO-DD]
Data from PubChem (NCBI)
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