6-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 495907
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c1(=O)n(ccc2c1cccn2)Cc1n(C2CC2)ccn1
• Canonical SMILES: O=c1n(ccc2c1cccn2)Cc1nccn1C1CC1
• InChI: InChI=1S/C15H14N4O/c20-15-12-2-1-6-16-13(12)5-8-18(15)10-14-17-7-9-19(14)11-3-4-11/h1-2,5-9,11H,3-4,10H2
• InChIKey: BLLJRGQVADYROE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[(1-cyclopropylimidazol-2-yl)methyl]-1,6-naphthyridin-5-one
• Synonyms: 6-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.018194288
• LogD (pH = 7.4): 0.8029345
• Log P: 0.9323046
• Molar Refractivity: 74.7308 cm^3
• Polarizability: 28.019388 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.69
• LOG S: -1.73
• Polar Surface Area: 52.71 Å^2
• Rotatable Bonds: 3