(butan-2-yl)({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 421384
• Molecular Formular: C19H23ClN4
• Molecular Mass: 342.86572
• Monoisotopic Mass: 342.16112444
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1ccncc1)C(CC)C
• Canonical SMILES: CCC(N(Cc1c(C)nc2n1cc(Cl)cc2)Cc1ccncc1)C
• InChI: InChI=1S/C19H23ClN4/c1-4-14(2)23(11-16-7-9-21-10-8-16)13-18-15(3)22-19-6-5-17(20)12-24(18)19/h5-10,12,14H,4,11,13H2,1-3H3
• InChIKey: JVAQTNGDMFPCRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(pyridin-4-ylmethyl)sec-butylamine
• Synonyms: N-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.16869439
• LogD (pH = 7.4): 2.0837855
• Log P: 3.159068
• Molar Refractivity: 99.9 cm^3
• Polarizability: 38.18886 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.62
• LOG S: -2.48
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 6