1-ethyl-7-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-N-(propan-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide

• ChemBase ID: 438665
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(C(=O)N(Cc2cn(nc2)C)C(C)C)c(=O)c2c(n(c1)CC)nc(cc2)C
• Canonical SMILES: CCn1cc(C(=O)N(C(C)C)Cc2cnn(c2)C)c(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C20H25N5O2/c1-6-24-12-17(18(26)16-8-7-14(4)22-19(16)24)20(27)25(13(2)3)11-15-9-21-23(5)10-15/h7-10,12-13H,6,11H2,1-5H3
• InChIKey: QQPJZMIJFODWCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-7-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-N-(propan-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-isopropyl-7-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• Synonyms: 1-ethyl-N-isopropyl-7-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7381757
• LogD (pH = 7.4): 1.8032962
• Log P: 1.8041943
• Molar Refractivity: 117.1235 cm^3
• Polarizability: 39.20719 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.11
• LOG S: -4.02
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 3