N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 528425
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: c12n(c(cn1)CC(=O)NCC1CN(c3cc(=O)n(nc3)C)CC1)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCC1CCN(C1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C20H24N6O2/c1-14-4-3-6-26-17(11-22-20(14)26)8-18(27)21-10-15-5-7-25(13-15)16-9-19(28)24(2)23-12-16/h3-4,6,9,11-12,15H,5,7-8,10,13H2,1-2H3,(H,21,27)
• InChIKey: TZYNGNXEHRVNKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.508127
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0503043
• LogD (pH = 7.4): -0.30729976
• Log P: -0.25599444
• Molar Refractivity: 109.0146 cm^3
• Polarizability: 39.75115 Å^3
• Polar Surface Area: 82.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.4
• LOG S: -2.94
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 5