N,8-dimethyl-N-(2-phenylethyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 542123
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CCCCC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCCCC1)cccc2C)CCc1ccccc1
• InChI: InChI=1S/C24H30N4O/c1-19-10-9-16-28-21(18-27-14-7-4-8-15-27)22(25-23(19)28)24(29)26(2)17-13-20-11-5-3-6-12-20/h3,5-6,9-12,16H,4,7-8,13-15,17-18H2,1-2H3
• InChIKey: MLDDQASDTCWYLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-N-(2-phenylethyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,8-dimethyl-N-(2-phenylethyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,8-dimethyl-N-(2-phenylethyl)-3-(1-piperidinylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3951235
• LogD (pH = 7.4): 3.1285274
• Log P: 3.681712
• Molar Refractivity: 119.4072 cm^3
• Polarizability: 44.864735 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.64
• LOG S: -4.12
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6