2-amino-6-(2-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

• ChemBase ID: 691646
• Molecular Formular: C19H15FN4O
• Molecular Mass: 334.3470032
• Monoisotopic Mass: 334.12298934
• SMILES: c12c(c(c(nc1CCN(C2)c1c(F)cccc1)N)C#N)c1occc1
• Canonical SMILES: N#Cc1c(N)nc2c(c1c1ccco1)CN(CC2)c1ccccc1F
• InChI: InChI=1S/C19H15FN4O/c20-14-4-1-2-5-16(14)24-8-7-15-13(11-24)18(17-6-3-9-25-17)12(10-21)19(22)23-15/h1-6,9H,7-8,11H2,(H2,22,23)
• InChIKey: HUBPIOYBTFJFNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-(2-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
• IUPAC Traditional name: 2-amino-6-(2-fluorophenyl)-4-(furan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
• Synonyms: 2-amino-6-(2-fluorophenyl)-4-(2-furyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.208622
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1291962
• LogD (pH = 7.4): 3.1295989
• Log P: 3.129604
• Molar Refractivity: 94.1531 cm^3
• Polarizability: 35.327404 Å^3
• Polar Surface Area: 79.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.02
• LOG S: -5.34
• Polar Surface Area: 79.08 Å^2
• Rotatable Bonds: 2