2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 320657
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1(nc(c(c1C)C(=O)C)C)CC(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(Cn1nc(c(c1C)C(=O)C)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H25N5O2/c1-11-17(16-5-6-20-7-15(16)8-21-11)9-22-18(26)10-24-13(3)19(14(4)25)12(2)23-24/h8,20H,5-7,9-10H2,1-4H3,(H,22,26)
• InChIKey: DWFOKKRIOBOSJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• Synonyms: 2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.684634
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.6085627
• LogD (pH = 7.4): -2.0758088
• Log P: -0.57919014
• Molar Refractivity: 111.5137 cm^3
• Polarizability: 37.84328 Å^3
• Polar Surface Area: 88.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.13
• LOG S: -1.69
• Polar Surface Area: 88.91 Å^2
• Rotatable Bonds: 5