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

• ChemBase ID: 724540
• Molecular Formular: C25H29N5O2
• Molecular Mass: 431.53006
• Monoisotopic Mass: 431.23212519
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(C(c1nocc1)C)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(c1nocc1)C)Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C25H29N5O2/c1-18-9-8-14-30-22(17-29(4)19(2)21-13-16-32-27-21)23(26-24(18)30)25(31)28(3)15-12-20-10-6-5-7-11-20/h5-11,13-14,16,19H,12,15,17H2,1-4H3
• InChIKey: SJUCJXQDLCOBBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8984983
• LogD (pH = 7.4): 3.5508287
• Log P: 3.5706005
• Molar Refractivity: 127.2915 cm^3
• Polarizability: 47.47194 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.5
• LOG S: -3.5
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 8