(1-methyl-5-{[4-(pyridin-2-ylmethoxy)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol

• ChemBase ID: 677955
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c12c(n(nc1CO)C)CCN(C2)Cc1ccc(OCc2ncccc2)cc1
• Canonical SMILES: OCc1nn(c2c1CN(CC2)Cc1ccc(cc1)OCc1ccccn1)C
• InChI: InChI=1S/C21H24N4O2/c1-24-21-9-11-25(13-19(21)20(14-26)23-24)12-16-5-7-18(8-6-16)27-15-17-4-2-3-10-22-17/h2-8,10,26H,9,11-15H2,1H3
• InChIKey: WOWMJXIJKWCRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-5-{[4-(pyridin-2-ylmethoxy)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol
• IUPAC Traditional name: (1-methyl-5-{[4-(pyridin-2-ylmethoxy)phenyl]methyl}-4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol
• Synonyms: {1-methyl-5-[4-(pyridin-2-ylmethoxy)benzyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.013349
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.0059717386
• LogD (pH = 7.4): 1.3876096
• Log P: 1.5428873
• Molar Refractivity: 116.1046 cm^3
• Polarizability: 40.23352 Å^3
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.51
• LOG S: 0.01
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 6