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

• ChemBase ID: 792713
• Molecular Formular: C16H28N4O2
• Molecular Mass: 308.41912
• Monoisotopic Mass: 308.22122616
• SMILES: c12c(n(nc1CO)C)CCN(C2)CC(N1CCOCC1)(C)C
• Canonical SMILES: OCc1nn(c2c1CN(CC2)CC(N1CCOCC1)(C)C)C
• InChI: InChI=1S/C16H28N4O2/c1-16(2,20-6-8-22-9-7-20)12-19-5-4-15-13(10-19)14(11-21)17-18(15)3/h21H,4-12H2,1-3H3
• InChIKey: BOHYBSYMNCQDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.013376
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.8342204
• LogD (pH = 7.4): -1.0365767
• Log P: -0.114891306
• Molar Refractivity: 99.2459 cm^3
• Polarizability: 33.82023 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.48
• LOG S: -0.03
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 4