4-[1-(3-phenylpropyl)-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine

• ChemBase ID: 744193
• Molecular Formular: C26H29N5O3
• Molecular Mass: 459.54016
• Monoisotopic Mass: 459.22703981
• SMILES: c1(c2c(n(n1)CCCc1ccccc1)CCN(C2)C(=O)c1ncccc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)c1ccccn1)CCCc1ccccc1)N1CCOCC1
• InChI: InChI=1S/C26H29N5O3/c32-25(22-10-4-5-12-27-22)30-14-11-23-21(19-30)24(26(33)29-15-17-34-18-16-29)28-31(23)13-6-9-20-7-2-1-3-8-20/h1-5,7-8,10,12H,6,9,11,13-19H2
• InChIKey: CTHUDYWBFFQQAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(3-phenylpropyl)-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[1-(3-phenylpropyl)-5-(pyridine-2-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• Synonyms: 3-(4-morpholinylcarbonyl)-1-(3-phenylpropyl)-5-(2-pyridinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.245967
• LogD (pH = 7.4): 2.2459826
• Log P: 2.245983
• Molar Refractivity: 140.7573 cm^3
• Polarizability: 48.611675 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: 1.48
• LOG S: -5.11
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 6