(1-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,5-dihydro-1H-pyrrol-2-yl)methanol

• ChemBase ID: 643362
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1C(C=CC1)CO)C(=O)N1CCOCC1
• Canonical SMILES: OCC1C=CCN1Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H24N4O3/c1-14-4-2-7-23-16(12-22-6-3-5-15(22)13-24)17(20-18(14)23)19(25)21-8-10-26-11-9-21/h2-5,7,15,24H,6,8-13H2,1H3
• InChIKey: DCNSPMUZIVZULT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,5-dihydro-1H-pyrrol-2-yl)methanol
• IUPAC Traditional name: (1-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,5-dihydropyrrol-2-yl)methanol
• Synonyms: (1-{[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2,5-dihydro-1H-pyrrol-2-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.069221
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1259304
• LogD (pH = 7.4): 0.19615376
• Log P: 0.3250668
• Molar Refractivity: 101.2842 cm^3
• Polarizability: 37.46301 Å^3
• Polar Surface Area: 70.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.4
• LOG S: -2.77
• Polar Surface Area: 70.31 Å^2
• Rotatable Bonds: 4