3-{imidazo[1,2-a]pyridin-2-yl}-N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}propanamide

• ChemBase ID: 827498
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: c1c(N2CC(CNC(=O)CCc3nc4n(c3)cccc4)CC2)cnn(c1=O)C
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCC1CCN(C1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C20H24N6O2/c1-24-20(28)10-17(12-22-24)25-9-7-15(13-25)11-21-19(27)6-5-16-14-26-8-3-2-4-18(26)23-16/h2-4,8,10,12,14-15H,5-7,9,11,13H2,1H3,(H,21,27)
• InChIKey: VZTOFWUBHPNAEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl}propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.591324
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1103125
• LogD (pH = 7.4): -0.3983044
• Log P: -0.3709323
• Molar Refractivity: 108.2731 cm^3
• Polarizability: 39.82799 Å^3
• Polar Surface Area: 82.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.24
• LOG S: -3.08
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 6