1-methyl-3-{[2-(1H-pyrazol-1-yl)phenyl]methyl}-1H,2H,3H-imidazo[4,5-c]pyridin-2-one

• ChemBase ID: 347839
• Molecular Formular: C17H15N5O
• Molecular Mass: 305.3339
• Monoisotopic Mass: 305.12766013
• SMILES: n1(c(=O)n(c2c1cncc2)C)Cc1c(n2nccc2)cccc1
• Canonical SMILES: Cn1c(=O)n(c2c1ccnc2)Cc1ccccc1n1cccn1
• InChI: InChI=1S/C17H15N5O/c1-20-15-7-9-18-11-16(15)21(17(20)23)12-13-5-2-3-6-14(13)22-10-4-8-19-22/h2-11H,12H2,1H3
• InChIKey: JLPFTBBKLRTOSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-{[2-(1H-pyrazol-1-yl)phenyl]methyl}-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
• IUPAC Traditional name: 1-methyl-3-{[2-(pyrazol-1-yl)phenyl]methyl}imidazo[4,5-c]pyridin-2-one
• Synonyms: 1-methyl-3-[2-(1H-pyrazol-1-yl)benzyl]-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8196416
• LogD (pH = 7.4): 1.8279206
• Log P: 1.8280274
• Molar Refractivity: 87.044 cm^3
• Polarizability: 33.210075 Å^3
• Polar Surface Area: 54.26 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: 2.07
• LOG S: -3.19
• Polar Surface Area: 57.64 Å^2
• Rotatable Bonds: 3