6-[5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 839546
• Molecular Formular: C20H16FN5
• Molecular Mass: 345.3729432
• Monoisotopic Mass: 345.13897376
• SMILES: c1(n2c(nc(c1)c1ccc(cc1)F)ccn2)N1Cc2c(CC1)nccc2
• Canonical SMILES: Fc1ccc(cc1)c1cc(N2CCc3c(C2)cccn3)n2c(n1)ccn2
• InChI: InChI=1S/C20H16FN5/c21-16-5-3-14(4-6-16)18-12-20(26-19(24-18)7-10-23-26)25-11-8-17-15(13-25)2-1-9-22-17/h1-7,9-10,12H,8,11,13H2
• InChIKey: NZWYVUDDROEDEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-[5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-[5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4411283
• LogD (pH = 7.4): 3.6001022
• Log P: 3.6025977
• Molar Refractivity: 107.6236 cm^3
• Polarizability: 37.528446 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.59
• LOG S: -2.63
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 2