[(2,2-dimethyl-1-phenylcyclopropyl)methyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 488211
• Molecular Formular: C25H30N4O
• Molecular Mass: 402.5319
• Monoisotopic Mass: 402.2419616
• SMILES: c1(nc2n(c1CNCC1(C(C1)(C)C)c1ccccc1)cccc2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCC1(CC1(C)C)c1ccccc1)cccc2)N1CCCC1
• InChI: InChI=1S/C25H30N4O/c1-24(2)17-25(24,19-10-4-3-5-11-19)18-26-16-20-22(23(30)28-13-8-9-14-28)27-21-12-6-7-15-29(20)21/h3-7,10-12,15,26H,8-9,13-14,16-18H2,1-2H3
• InChIKey: RGKIAPXDZYLYNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dimethyl-1-phenylcyclopropyl)methyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [(2,2-dimethyl-1-phenylcyclopropyl)methyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 1-(2,2-dimethyl-1-phenylcyclopropyl)-N-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19784294
• LogD (pH = 7.4): 1.7113528
• Log P: 3.2069879
• Molar Refractivity: 120.5615 cm^3
• Polarizability: 45.974243 Å^3
• Polar Surface Area: 49.64 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: 3.85
• LOG S: -5.64
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6