3-ethyl-N-({7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 317185
• Molecular Formular: C26H31N5O4
• Molecular Mass: 477.55544
• Monoisotopic Mass: 477.2376045
• SMILES: c1(n(nc(c1)CC)C)C(=O)NCc1c2c(CN(C(=O)COc3c(OC)cccc3)CC2)cnc1C
• Canonical SMILES: CCc1nn(c(c1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)COc1ccccc1OC)C
• InChI: InChI=1S/C26H31N5O4/c1-5-19-12-22(30(3)29-19)26(33)28-14-21-17(2)27-13-18-15-31(11-10-20(18)21)25(32)16-35-24-9-7-6-8-23(24)34-4/h6-9,12-13H,5,10-11,14-16H2,1-4H3,(H,28,33)
• InChIKey: UYBKHVGFCPLIJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-N-({7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-ethyl-N-({7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl}methyl)-2-methylpyrazole-3-carboxamide
• Synonyms: 3-ethyl-N-({7-[(2-methoxyphenoxy)acetyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.405874
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2619996
• LogD (pH = 7.4): 1.4302377
• Log P: 1.4329121
• Molar Refractivity: 143.6284 cm^3
• Polarizability: 50.136482 Å^3
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.68
• LOG S: -5.58
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 6