N,8-dimethyl-N-(2-phenylethyl)-3-[(3-propoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 836639
• Molecular Formular: C27H36N4O2
• Molecular Mass: 448.60034
• Monoisotopic Mass: 448.28382641
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CC(OCCC)CCC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CCCOC1CCCN(C1)Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C27H36N4O2/c1-4-18-33-23-13-9-15-30(19-23)20-24-25(28-26-21(2)10-8-16-31(24)26)27(32)29(3)17-14-22-11-6-5-7-12-22/h5-8,10-12,16,23H,4,9,13-15,17-20H2,1-3H3
• InChIKey: ZZIPWDVOBHCPBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-N-(2-phenylethyl)-3-[(3-propoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,8-dimethyl-N-(2-phenylethyl)-3-[(3-propoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,8-dimethyl-N-(2-phenylethyl)-3-[(3-propoxy-1-piperidinyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0552866
• LogD (pH = 7.4): 3.7253926
• Log P: 4.1292653
• Molar Refractivity: 134.7925 cm^3
• Polarizability: 51.07563 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.06
• LOG S: -5.11
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7