4-(4-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}pyridine-2-carbonyl)morpholine

• ChemBase ID: 628968
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: c12c(n[nH]c2)CCN(C1)c1cc(C(=O)N2CCOCC2)ncc1
• Canonical SMILES: O=C(c1nccc(c1)N1CCc2c(C1)c[nH]n2)N1CCOCC1
• InChI: InChI=1S/C16H19N5O2/c22-16(20-5-7-23-8-6-20)15-9-13(1-3-17-15)21-4-2-14-12(11-21)10-18-19-14/h1,3,9-10H,2,4-8,11H2,(H,18,19)
• InChIKey: WQWBHCWLDGMBDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}pyridine-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(4-{2H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}pyridine-2-carbonyl)morpholine
• Synonyms: 5-[2-(4-morpholinylcarbonyl)-4-pyridinyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.777981
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.37395772
• LogD (pH = 7.4): 0.42661178
• Log P: 0.4273286
• Molar Refractivity: 86.9358 cm^3
• Polarizability: 31.889494 Å^3
• Polar Surface Area: 74.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.77
• LOG S: -2.14
• Polar Surface Area: 74.35 Å^2
• Rotatable Bonds: 2