3-{[(dicyclopropylmethyl)(methyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 498822
• Molecular Formular: C27H34N4O
• Molecular Mass: 430.58506
• Monoisotopic Mass: 430.27326173
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(C(C1CC1)C1CC1)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(C1CC1)C1CC1)Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C27H34N4O/c1-19-8-7-16-31-23(18-30(3)25(21-11-12-21)22-13-14-22)24(28-26(19)31)27(32)29(2)17-15-20-9-5-4-6-10-20/h4-10,16,21-22,25H,11-15,17-18H2,1-3H3
• InChIKey: PDSKSQGQNWLXAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(dicyclopropylmethyl)(methyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-{[(dicyclopropylmethyl)(methyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-{[(dicyclopropylmethyl)(methyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1852179
• LogD (pH = 7.4): 2.7065978
• Log P: 4.452267
• Molar Refractivity: 130.8194 cm^3
• Polarizability: 49.66409 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.17
• LOG S: -4.06
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 9