5-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-1H,5H,6H,7H,8H-pyrido[3,2-f]indazol-7-one

• ChemBase ID: 709484
• Molecular Formular: C20H17N5O2
• Molecular Mass: 359.38128
• Monoisotopic Mass: 359.13822481
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)C1c2c(NC(=O)C1)cc1c(c2)cn[nH]1
• Canonical SMILES: COc1ccc(cc1)n1ccnc1C1CC(=O)Nc2c1cc1cn[nH]c1c2
• InChI: InChI=1S/C20H17N5O2/c1-27-14-4-2-13(3-5-14)25-7-6-21-20(25)16-9-19(26)23-18-10-17-12(8-15(16)18)11-22-24-17/h2-8,10-11,16H,9H2,1H3,(H,22,24)(H,23,26)
• InChIKey: SVMAERZAMYEWCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-1H,5H,6H,7H,8H-pyrido[3,2-f]indazol-7-one
• IUPAC Traditional name: 5-[1-(4-methoxyphenyl)imidazol-2-yl]-1H,5H,6H,8H-pyrido[3,2-f]indazol-7-one
• Synonyms: 5-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-1,5,6,8-tetrahydro-7H-pyrazolo[4,3-g]quinolin-7-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.998587
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5613736
• LogD (pH = 7.4): 1.9769453
• Log P: 1.9875747
• Molar Refractivity: 112.7075 cm^3
• Polarizability: 39.82296 Å^3
• Polar Surface Area: 84.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.47
• LOG S: -3.93
• Polar Surface Area: 84.83 Å^2
• Rotatable Bonds: 3