4-[3-(3-fluorophenyl)-2-oxo-1-[2-(piperidin-1-yl)ethyl]-1,2,5,6,7,8-hexahydro-1,6-naphthyridin-6-yl]-N,N-dimethyl-4-oxobutanamide

• ChemBase ID: 413288
• Molecular Formular: C27H35FN4O3
• Molecular Mass: 482.5902032
• Monoisotopic Mass: 482.26931922
• SMILES: n1(c(=O)c(cc2c1CCN(C2)C(=O)CCC(=O)N(C)C)c1cc(F)ccc1)CCN1CCCCC1
• Canonical SMILES: Fc1cccc(c1)c1cc2CN(CCc2n(c1=O)CCN1CCCCC1)C(=O)CCC(=O)N(C)C
• InChI: InChI=1S/C27H35FN4O3/c1-29(2)25(33)9-10-26(34)31-14-11-24-21(19-31)18-23(20-7-6-8-22(28)17-20)27(35)32(24)16-15-30-12-4-3-5-13-30/h6-8,17-18H,3-5,9-16,19H2,1-2H3
• InChIKey: SRUHURPKSPGISG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-fluorophenyl)-2-oxo-1-[2-(piperidin-1-yl)ethyl]-1,2,5,6,7,8-hexahydro-1,6-naphthyridin-6-yl]-N,N-dimethyl-4-oxobutanamide
• IUPAC Traditional name: 4-[3-(3-fluorophenyl)-2-oxo-1-[2-(piperidin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-N,N-dimethyl-4-oxobutanamide
• Synonyms: 4-[3-(3-fluorophenyl)-2-oxo-1-[2-(1-piperidinyl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-6(2H)-yl]-N,N-dimethyl-4-oxobutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6424018
• LogD (pH = 7.4): 0.13155486
• Log P: 1.0175412
• Molar Refractivity: 136.3021 cm^3
• Polarizability: 51.220795 Å^3
• Polar Surface Area: 64.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.32
• LOG S: -3.07
• Polar Surface Area: 65.86 Å^2
• Rotatable Bonds: 7