4-[5-(6-methylpyridine-3-carbonyl)-1-(3-phenylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine

• ChemBase ID: 331051
• Molecular Formular: C27H31N5O3
• Molecular Mass: 473.56674
• Monoisotopic Mass: 473.24268988
• SMILES: c1(c2c(n(n1)CCCc1ccccc1)CCN(C2)C(=O)c1cnc(cc1)C)C(=O)N1CCOCC1
• Canonical SMILES: Cc1ccc(cn1)C(=O)N1CCc2c(C1)c(nn2CCCc1ccccc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C27H31N5O3/c1-20-9-10-22(18-28-20)26(33)31-13-11-24-23(19-31)25(27(34)30-14-16-35-17-15-30)29-32(24)12-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,18H,5,8,11-17,19H2,1H3
• InChIKey: OJMXBFOVGCKFQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(6-methylpyridine-3-carbonyl)-1-(3-phenylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[5-(6-methylpyridine-3-carbonyl)-1-(3-phenylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• Synonyms: 5-[(6-methyl-3-pyridinyl)carbonyl]-3-(4-morpholinylcarbonyl)-1-(3-phenylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9629152
• LogD (pH = 7.4): 1.9911299
• Log P: 1.9915026
• Molar Refractivity: 145.7208 cm^3
• Polarizability: 50.36935 Å^3
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.98
• LOG S: -5.4
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 6