4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-[4-(1H-pyrazol-1-yl)benzoyl]piperidine

• ChemBase ID: 622748
• Molecular Formular: C25H26N6O2
• Molecular Mass: 442.51294
• Monoisotopic Mass: 442.2117241
• SMILES: c1(n(c2c(n1)cccn2)C1CCN(C(=O)c2ccc(n3nccc3)cc2)CC1)C1OCCC1
• Canonical SMILES: O=C(c1ccc(cc1)n1cccn1)N1CCC(CC1)n1c(nc2c1nccc2)C1CCCO1
• InChI: InChI=1S/C25H26N6O2/c32-25(18-6-8-19(9-7-18)30-14-3-13-27-30)29-15-10-20(11-16-29)31-23-21(4-1-12-26-23)28-24(31)22-5-2-17-33-22/h1,3-4,6-9,12-14,20,22H,2,5,10-11,15-17H2
• InChIKey: DNDPAECHLKFKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-[4-(1H-pyrazol-1-yl)benzoyl]piperidine
• IUPAC Traditional name: 4-[2-(oxolan-2-yl)imidazo[4,5-b]pyridin-3-yl]-1-[4-(pyrazol-1-yl)benzoyl]piperidine
• Synonyms: 3-{1-[4-(1H-pyrazol-1-yl)benzoyl]-4-piperidinyl}-2-(tetrahydro-2-furanyl)-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3932555
• LogD (pH = 7.4): 2.3933587
• Log P: 2.3933601
• Molar Refractivity: 124.5958 cm^3
• Polarizability: 48.39899 Å^3
• Polar Surface Area: 78.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.42
• LOG S: -5.92
• Polar Surface Area: 78.07 Å^2
• Rotatable Bonds: 4