N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

• ChemBase ID: 477074
• Molecular Formular: C18H20N8O
• Molecular Mass: 364.4044
• Monoisotopic Mass: 364.1760073
• SMILES: n1c2c(nc(c1N1CCCCC1)N(Cc1n3c(nc1)cccc3)C)non2
• Canonical SMILES: CN(c1nc2nonc2nc1N1CCCCC1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C18H20N8O/c1-24(12-13-11-19-14-7-3-6-10-26(13)14)17-18(25-8-4-2-5-9-25)21-16-15(20-17)22-27-23-16/h3,6-7,10-11H,2,4-5,8-9,12H2,1H3
• InChIKey: WWFAAXXOFFMYGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-6-(1-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.5850661
• LogD (pH = 7.4): 2.1984553
• Log P: 2.2240796
• Molar Refractivity: 106.9613 cm^3
• Polarizability: 36.895893 Å^3
• Polar Surface Area: 88.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 4.71
• LOG S: -3.54
• Polar Surface Area: 88.48 Å^2
• Rotatable Bonds: 4