N-methyl-N-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}oxolan-3-amine

• ChemBase ID: 443499
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(C1CCOC1)C)C(=O)N1CCCCC1
• Canonical SMILES: CN(C1COCC1)Cc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C20H28N4O2/c1-15-7-6-11-24-17(13-22(2)16-8-12-26-14-16)18(21-19(15)24)20(25)23-9-4-3-5-10-23/h6-7,11,16H,3-5,8-10,12-14H2,1-2H3
• InChIKey: KBHMWUDJDKWNHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}oxolan-3-amine
• IUPAC Traditional name: N-methyl-N-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}oxolan-3-amine
• Synonyms: N-methyl-N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}tetrahydro-3-furanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.38927507
• LogD (pH = 7.4): 1.2344254
• Log P: 1.569804
• Molar Refractivity: 103.6497 cm^3
• Polarizability: 38.908897 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.6
• LOG S: -1.58
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4