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

• ChemBase ID: 721095
• Molecular Formular: C23H21N5O
• Molecular Mass: 383.44574
• Monoisotopic Mass: 383.17461032
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CC(c2cc(ncc2)c2ccncc2)CC1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)N1CCC(C1)c1ccnc(c1)c1ccncc1
• InChI: InChI=1S/C23H21N5O/c1-16-3-2-11-27-15-21(26-22(16)27)23(29)28-12-7-19(14-28)18-6-10-25-20(13-18)17-4-8-24-9-5-17/h2-6,8-11,13,15,19H,7,12,14H2,1H3
• InChIKey: WQLQGSAAPALSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-3-yl)-2-(pyridin-4-yl)pyridine
• IUPAC Traditional name: 4-(1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-3-yl)-2-(pyridin-4-yl)pyridine
• Synonyms: 4-{1-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]pyrrolidin-3-yl}-2,4'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4102345
• LogD (pH = 7.4): 2.4584825
• Log P: 2.4591186
• Molar Refractivity: 112.0354 cm^3
• Polarizability: 43.285343 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.5
• LOG S: -3.28
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 3