4-(3-{[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine

• ChemBase ID: 508732
• Molecular Formular: C24H27FN4O2
• Molecular Mass: 422.4951832
• Monoisotopic Mass: 422.21180434
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1C(c2ccc(cc2)F)CCC1)C(=O)N1CCOCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCN1Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1
• InChI: InChI=1S/C24H27FN4O2/c1-17-4-2-11-29-21(22(26-23(17)29)24(30)27-12-14-31-15-13-27)16-28-10-3-5-20(28)18-6-8-19(25)9-7-18/h2,4,6-9,11,20H,3,5,10,12-16H2,1H3
• InChIKey: ZTGXLYMLFUSSFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(3-{[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine
• Synonyms: 3-{[2-(4-fluorophenyl)-1-pyrrolidinyl]methyl}-8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9682633
• LogD (pH = 7.4): 2.5942647
• Log P: 2.9324505
• Molar Refractivity: 119.0123 cm^3
• Polarizability: 44.48094 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.05
• LOG S: -3.26
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4