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

• ChemBase ID: 426630
• Molecular Formular: C26H31N5O3
• Molecular Mass: 461.55604
• Monoisotopic Mass: 461.24268988
• SMILES: c1(n(nc(c1)CC)C)C(=O)N1Cc2c(c(CNC(=O)C(c3ccccc3)OC)c(nc2)C)CC1
• Canonical SMILES: CCc1cc(n(n1)C)C(=O)N1CCc2c(C1)cnc(c2CNC(=O)C(c1ccccc1)OC)C
• InChI: InChI=1S/C26H31N5O3/c1-5-20-13-23(30(3)29-20)26(33)31-12-11-21-19(16-31)14-27-17(2)22(21)15-28-25(32)24(34-4)18-9-7-6-8-10-18/h6-10,13-14,24H,5,11-12,15-16H2,1-4H3,(H,28,32)
• InChIKey: FVRSFGHIGOUWBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.324368
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6650848
• LogD (pH = 7.4): 1.8333129
• Log P: 1.8359877
• Molar Refractivity: 142.0144 cm^3
• Polarizability: 49.4508 Å^3
• Polar Surface Area: 89.35 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: 2.0
• LOG S: -5.5
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 5