Azd-3839
(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
Molecular Identity
Azd-3839
(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
PubChem CID: 46202416
2D Structure
Properties
C24H16F3N5
Molecular Formula
431.40
Molecular Weight
g/mol
431.1358
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
77.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5Isomeric SMILES
SMILES: C1=CC(=CC(=C1)[C@@]2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5Synonyms(20)
1227163-84-9AZD3839AZD-3839(1S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amineI8ID590133AZD 38391H-Isoindol-3-amine, 1-(2-(difluoromethyl)-4-pyridinyl)-4-fluoro-1-(3-(5-pyrimidinyl)phenyl)-, (1S)-(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-[3-(pyrimidin-5-yl)phenyl]-1H-isoindol-3-amineRefChem:115997(3S)-3-(2-(difluoromethyl)pyridin-4-yl)-7-fluoro-3-(3-(pyrimidin-5-yl)phenyl)-2,3-dihydro-1H-isoindol-1-amine(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amineAZD3839 free baseAZD3839 (free base)CHEMBL2177913(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
Data from PubChem (NCBI)
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