({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)(3-cyclopentylpropyl)methylamine

• ChemBase ID: 597579
• Molecular Formular: C24H35ClN4O2
• Molecular Mass: 447.0133
• Monoisotopic Mass: 446.24485406
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN(CCCC1CCCC1)C)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)c1nc2n(c1CN(CCCC1CCCC1)C)cc(cc2)Cl
• InChI: InChI=1S/C24H35ClN4O2/c1-17-13-28(14-18(2)31-17)24(30)23-21(29-15-20(25)10-11-22(29)26-23)16-27(3)12-6-9-19-7-4-5-8-19/h10-11,15,17-19H,4-9,12-14,16H2,1-3H3/t17-,18+
• InChIKey: IAGDSDASXIPLFT-HDICACEKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)(3-cyclopentylpropyl)methylamine
• IUPAC Traditional name: ({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)(3-cyclopentylpropyl)methylamine
• Synonyms: N-[(6-chloro-2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[1,2-a]pyridin-3-yl)methyl]-3-cyclopentyl-N-methyl-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3284243
• LogD (pH = 7.4): 3.1022654
• Log P: 4.0043826
• Molar Refractivity: 125.9963 cm^3
• Polarizability: 48.231613 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.92
• LOG S: -4.9
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7