({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)(ethyl)[2-(1H-pyrazol-1-yl)ethyl]amine

• ChemBase ID: 352453
• Molecular Formular: C22H29ClN6O2
• Molecular Mass: 444.95766
• Monoisotopic Mass: 444.20405188
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN(CCn1nccc1)CC)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: CCN(Cc1c(nc2n1cc(Cl)cc2)C(=O)N1C[C@H](C)O[C@@H](C1)C)CCn1cccn1
• InChI: InChI=1S/C22H29ClN6O2/c1-4-26(10-11-28-9-5-8-24-28)15-19-21(25-20-7-6-18(23)14-29(19)20)22(30)27-12-16(2)31-17(3)13-27/h5-9,14,16-17H,4,10-13,15H2,1-3H3/t16-,17+
• InChIKey: KIYLCTKVRGYZBP-CALCHBBNSA-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)(ethyl)[2-(1H-pyrazol-1-yl)ethyl]amine
• IUPAC Traditional name: ({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)(ethyl)[2-(pyrazol-1-yl)ethyl]amine
• Synonyms: N-[(6-chloro-2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[1,2-a]pyridin-3-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.032318525
• LogD (pH = 7.4): 1.7035857
• Log P: 2.1098733
• Molar Refractivity: 133.3143 cm^3
• Polarizability: 46.10306 Å^3
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.71
• LOG S: -3.65
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 6