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

• ChemBase ID: 790694
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: c12c(n(nc1CO)CC)CCN(C2)Cc1c(nccc1)N
• Canonical SMILES: OCc1nn(c2c1CN(CC2)Cc1cccnc1N)CC
• InChI: InChI=1S/C15H21N5O/c1-2-20-14-5-7-19(9-12(14)13(10-21)18-20)8-11-4-3-6-17-15(11)16/h3-4,6,21H,2,5,7-10H2,1H3,(H2,16,17)
• InChIKey: GPTKAQXDAYVIKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.012167
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1765044
• LogD (pH = 7.4): -0.050843768
• Log P: 0.016953148
• Molar Refractivity: 95.3135 cm^3
• Polarizability: 31.1112 Å^3
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.64
• LOG S: 0.26
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 4