1-(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-2-(oxolan-2-yl)-1H-1,3-benzodiazole

• ChemBase ID: 554032
• Molecular Formular: C24H25N5O2
• Molecular Mass: 415.4876
• Monoisotopic Mass: 415.20082507
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CCC(n2c(nc3c2cccc3)C2OCCC2)CC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCC(CC1)n1c(nc2c1cccc2)C1CCCO1
• InChI: InChI=1S/C24H25N5O2/c30-24(19-16-28-12-4-3-9-22(28)25-19)27-13-10-17(11-14-27)29-20-7-2-1-6-18(20)26-23(29)21-8-5-15-31-21/h1-4,6-7,9,12,16-17,21H,5,8,10-11,13-15H2
• InChIKey: JMMPRRAOPWLTLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-2-(oxolan-2-yl)-1H-1,3-benzodiazole
• IUPAC Traditional name: 1-(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-2-(oxolan-2-yl)-1,3-benzodiazole
• Synonyms: 1-[1-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-4-piperidinyl]-2-(tetrahydro-2-furanyl)-1H-benzimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2857552
• LogD (pH = 7.4): 2.3293247
• Log P: 2.3299057
• Molar Refractivity: 117.9448 cm^3
• Polarizability: 45.841415 Å^3
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.39
• LOG S: -5.39
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 3