6-(4-ethoxypiperidine-1-carbonyl)-3-ethyl-3H-imidazo[4,5-b]pyridin-2-amine

• ChemBase ID: 679868
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: n1(c(nc2c1ncc(C(=O)N1CCC(CC1)OCC)c2)N)CC
• Canonical SMILES: CCOC1CCN(CC1)C(=O)c1cnc2c(c1)nc(n2CC)N
• InChI: InChI=1S/C16H23N5O2/c1-3-21-14-13(19-16(21)17)9-11(10-18-14)15(22)20-7-5-12(6-8-20)23-4-2/h9-10,12H,3-8H2,1-2H3,(H2,17,19)
• InChIKey: XFJKSDVAEPBUHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-ethoxypiperidine-1-carbonyl)-3-ethyl-3H-imidazo[4,5-b]pyridin-2-amine
• IUPAC Traditional name: 6-(4-ethoxypiperidine-1-carbonyl)-3-ethylimidazo[4,5-b]pyridin-2-amine
• Synonyms: 6-[(4-ethoxypiperidin-1-yl)carbonyl]-3-ethyl-3H-imidazo[4,5-b]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.42548192
• LogD (pH = 7.4): 0.46061975
• Log P: 0.46108818
• Molar Refractivity: 88.6791 cm^3
• Polarizability: 33.533165 Å^3
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.22
• LOG S: -2.06
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 4