4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine

• ChemBase ID: 340150
• Molecular Formular: C26H26N6O3
• Molecular Mass: 470.52304
• Monoisotopic Mass: 470.20663872
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C(=O)c1nc3n(c1)cccc3)C2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C26H26N6O3/c33-25(21-18-30-10-5-4-8-23(30)27-21)31-11-9-22-20(17-31)24(26(34)29-12-14-35-15-13-29)28-32(22)16-19-6-2-1-3-7-19/h1-8,10,18H,9,11-17H2
• InChIKey: MKINFLVKXVOMLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
• Synonyms: 1-benzyl-5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5122489
• LogD (pH = 7.4): 1.5166723
• Log P: 1.5167289
• Molar Refractivity: 143.4366 cm^3
• Polarizability: 48.873905 Å^3
• Polar Surface Area: 84.97 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: 1.28
• LOG S: -4.48
• Polar Surface Area: 84.97 Å^2
• Rotatable Bonds: 4