2-fluoro-N-({3-methyl-7-[2-(1H-pyrazol-1-yl)benzoyl]-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)benzamide

• ChemBase ID: 660934
• Molecular Formular: C27H24FN5O2
• Molecular Mass: 469.5101632
• Monoisotopic Mass: 469.19140325
• SMILES: C(=O)(c1c(n2nccc2)cccc1)N1Cc2c(c(CNC(=O)c3c(F)cccc3)c(nc2)C)CC1
• Canonical SMILES: Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C2)C(=O)c1ccccc1n1cccn1
• InChI: InChI=1S/C27H24FN5O2/c1-18-23(16-30-26(34)21-7-2-4-9-24(21)28)20-11-14-32(17-19(20)15-29-18)27(35)22-8-3-5-10-25(22)33-13-6-12-31-33/h2-10,12-13,15H,11,14,16-17H2,1H3,(H,30,34)
• InChIKey: JNSNDIHALKMPPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-({3-methyl-7-[2-(1H-pyrazol-1-yl)benzoyl]-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)benzamide
• IUPAC Traditional name: 2-fluoro-N-({3-methyl-7-[2-(pyrazol-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl}methyl)benzamide
• Synonyms: 2-fluoro-N-({3-methyl-7-[2-(1H-pyrazol-1-yl)benzoyl]-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.173992
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8057563
• LogD (pH = 7.4): 2.9739332
• Log P: 2.9766076
• Molar Refractivity: 132.4524 cm^3
• Polarizability: 49.416645 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.18
• LOG S: -6.6
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5