methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})[(5-methylfuran-2-yl)methyl]amine

• ChemBase ID: 322613
• Molecular Formular: C21H26N4O3
• Molecular Mass: 382.45614
• Monoisotopic Mass: 382.20049071
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(Cc1oc(cc1)C)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)Cc1ccc(o1)C
• InChI: InChI=1S/C21H26N4O3/c1-15-5-4-8-25-18(14-23(3)13-17-7-6-16(2)28-17)19(22-20(15)25)21(26)24-9-11-27-12-10-24/h4-8H,9-14H2,1-3H3
• InChIKey: KDKIYCBCEVAMFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})[(5-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})[(5-methylfuran-2-yl)methyl]amine
• Synonyms: N-methyl-1-(5-methyl-2-furyl)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 0
• Log P: 1.96
• LOG S: -2.2
• Polar Surface Area: 63.22 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.008942064
• LogD (pH = 7.4): 1.4180444
• Log P: 1.5839921
• Molar Refractivity: 109.1253 cm^3
• Polarizability: 40.505363 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 5