N-({7-[2-(4-fluorophenyl)acetyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-(1H-imidazol-1-yl)acetamide

• ChemBase ID: 334853
• Molecular Formular: C23H24FN5O2
• Molecular Mass: 421.4673632
• Monoisotopic Mass: 421.19140325
• SMILES: N1(C(=O)Cc2ccc(F)cc2)Cc2c(c(CNC(=O)Cn3cncc3)c(nc2)C)CC1
• Canonical SMILES: O=C(Cn1cncc1)NCc1c(C)ncc2c1CCN(C2)C(=O)Cc1ccc(cc1)F
• InChI: InChI=1S/C23H24FN5O2/c1-16-21(12-27-22(30)14-28-9-7-25-15-28)20-6-8-29(13-18(20)11-26-16)23(31)10-17-2-4-19(24)5-3-17/h2-5,7,9,11,15H,6,8,10,12-14H2,1H3,(H,27,30)
• InChIKey: KPXXCYGCEDERCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-[2-(4-fluorophenyl)acetyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-(1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-({7-[2-(4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl}methyl)-2-(imidazol-1-yl)acetamide
• Synonyms: N-({7-[(4-fluorophenyl)acetyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-(1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.722499
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.10190644
• LogD (pH = 7.4): 0.7345031
• Log P: 0.7965608
• Molar Refractivity: 114.822 cm^3
• Polarizability: 43.291084 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.11
• LOG S: -4.61
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 6