N-[3-(dimethylamino)propyl]-1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-N-methylpiperidin-3-amine

• ChemBase ID: 516626
• Molecular Formular: C21H33N5O
• Molecular Mass: 371.51962
• Monoisotopic Mass: 371.2685107
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N1CC(N(CCCN(C)C)C)CCC1
• Canonical SMILES: CN(CCCN(C1CCCN(C1)C(=O)c1c(C)nc2n1ccc(c2)C)C)C
• InChI: InChI=1S/C21H33N5O/c1-16-9-13-26-19(14-16)22-17(2)20(26)21(27)25-12-6-8-18(15-25)24(5)11-7-10-23(3)4/h9,13-14,18H,6-8,10-12,15H2,1-5H3
• InChIKey: FCRSAAXNWBPIAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-N-methylpiperidin-3-amine
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-N-methylpiperidin-3-amine
• Synonyms: N-{1-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]-3-piperidinyl}-N,N',N'-trimethyl-1,3-propanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.2423825
• LogD (pH = 7.4): -1.5614853
• Log P: 1.1851479
• Molar Refractivity: 112.4332 cm^3
• Polarizability: 42.238148 Å^3
• Polar Surface Area: 44.09 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: 1.76
• LOG S: -3.41
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6