N-{[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)furan-2-carboxamide

• ChemBase ID: 339900
• Molecular Formular: C25H26FN3O5
• Molecular Mass: 467.4894432
• Monoisotopic Mass: 467.18564917
• SMILES: N1(C(=O)c2cc(c(cc2)OC)F)Cc2c(c(CNC(=O)c3oc(cc3)COC)c(nc2)C)CC1
• Canonical SMILES: COCc1ccc(o1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1ccc(c(c1)F)OC
• InChI: InChI=1S/C25H26FN3O5/c1-15-20(12-28-24(30)23-7-5-18(34-23)14-32-2)19-8-9-29(13-17(19)11-27-15)25(31)16-4-6-22(33-3)21(26)10-16/h4-7,10-11H,8-9,12-14H2,1-3H3,(H,28,30)
• InChIKey: ARJOHARWPAIMRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)furan-2-carboxamide
• IUPAC Traditional name: N-{[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)furan-2-carboxamide
• Synonyms: N-{[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785323
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.418349
• LogD (pH = 7.4): 1.5864693
• Log P: 1.5891422
• Molar Refractivity: 124.3894 cm^3
• Polarizability: 46.193325 Å^3
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.87
• LOG S: -5.58
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 5