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

• ChemBase ID: 339095
• Molecular Formular: C15H19ClN4O
• Molecular Mass: 306.79056
• Monoisotopic Mass: 306.12473893
• SMILES: c12c(n(nc1CO)CC)CCN(C2)Cc1c(Cl)cncc1
• Canonical SMILES: OCc1nn(c2c1CN(CC2)Cc1ccncc1Cl)CC
• InChI: InChI=1S/C15H19ClN4O/c1-2-20-15-4-6-19(9-12(15)14(10-21)18-20)8-11-3-5-17-7-13(11)16/h3,5,7,21H,2,4,6,8-10H2,1H3
• InChIKey: ATAKRRLOFDQCBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[(3-chloropyridin-4-yl)methyl]-1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• IUPAC Traditional name: {5-[(3-chloropyridin-4-yl)methyl]-1-ethyl-4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• Synonyms: {5-[(3-chloropyridin-4-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: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22103469
• LogD (pH = 7.4): 0.8377223
• Log P: 0.85546625
• Molar Refractivity: 95.1044 cm^3
• Polarizability: 31.869654 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.32
• LOG S: -0.7
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 4