Paltusotine
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrile
Molecular Identity
Paltusotine
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrile
PubChem CID: 134168328
2D Structure
Properties
C27H22F2N4O
Molecular Formula
456.50
Molecular Weight
g/mol
456.1762
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
86.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
727
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC1N)C2=C3C=C(C=CC3=NC=C2C4=CC(=CC(=C4)F)F)C5=CC=CC(=C5O)C#NIsomeric SMILES
SMILES: C1CN(CCC1N)C2=C3C=C(C=CC3=NC=C2C4=CC(=CC(=C4)F)F)C5=CC=CC(=C5O)C#NSynonyms(20)
Paltusotine2172870-89-0CRN00808CRN-00808Paltusotine [INN]F2IBD1GMD33-(4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)-2-hydroxybenzonitrileUNII-F2IBD1GMD33-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrileCRN 00808Benzonitrile, 3-(4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl)-2-hydroxy-Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy-RefChem:169779PalsonifyPaltusotine dihydrochloride
Data from PubChem (NCBI)
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