Azd-9742
1-[2-[(3R,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-fluoropiperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile
Molecular Identity
Azd-9742
1-[2-[(3R,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-fluoropiperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile
PubChem CID: 25008769
2D Structure
Properties
C25H26FN5O3
Molecular Formula
463.50
Molecular Weight
g/mol
463.2020
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
90.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
803
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CC(C1NCC2=CC3=C(C=N2)OCCO3)F)CCN4C(=O)C=CC5=C4C=C(C=C5)C#NIsomeric SMILES
SMILES: C1CN(C[C@H]([C@H]1NCC2=CC3=C(C=N2)OCCO3)F)CCN4C(=O)C=CC5=C4C=C(C=C5)C#NSynonyms(16)
AZD-9742UNII-1T5080OCPW1033748-95-61T5080OCPWAZD9742AZD 9742 [WHO-DD]7-Quinolinecarbonitrile, 1-(2-((3R,4S)-4-(((2,3-dihydro-1,4-dioxino(2,3-C)pyridin-7-yl)methyl)amino)-3-fluoro-1-piperidinyl)ethyl)-1,2-dihydro-2-oxo-RefChem:116026AZD 9742CHEMBL21650641-[2-[(3R,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-fluoropiperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrileSCHEMBL3357804SCHEMBL30239820GLXC-15161AZ6142
Data from PubChem (NCBI)
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