3-{3-[5-(1-methoxypropan-2-yl)-3-(piperidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-1-yl]propyl}pyridine

• ChemBase ID: 462417
• Molecular Formular: C24H35N5O2
• Molecular Mass: 425.567
• Monoisotopic Mass: 425.27907539
• SMILES: c1(c2c(n(n1)CCCc1cnccc1)CCN(C2)C(COC)C)C(=O)N1CCCCC1
• Canonical SMILES: COCC(N1CCc2c(C1)c(nn2CCCc1cccnc1)C(=O)N1CCCCC1)C
• InChI: InChI=1S/C24H35N5O2/c1-19(18-31-2)28-15-10-22-21(17-28)23(24(30)27-12-4-3-5-13-27)26-29(22)14-7-9-20-8-6-11-25-16-20/h6,8,11,16,19H,3-5,7,9-10,12-15,17-18H2,1-2H3
• InChIKey: LDCLDTYOKHYPDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[5-(1-methoxypropan-2-yl)-3-(piperidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-1-yl]propyl}pyridine
• IUPAC Traditional name: 3-{3-[5-(1-methoxypropan-2-yl)-3-(piperidine-1-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridin-1-yl]propyl}pyridine
• Synonyms: 5-(2-methoxy-1-methylethyl)-3-(1-piperidinylcarbonyl)-1-[3-(3-pyridinyl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.1987686
• LogD (pH = 7.4): 1.9846503
• Log P: 2.2175298
• Molar Refractivity: 134.7174 cm^3
• Polarizability: 46.820522 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.43
• LOG S: -3.9
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 7