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

• ChemBase ID: 326147
• Molecular Formular: C22H29ClN6O2
• Molecular Mass: 444.95766
• Monoisotopic Mass: 444.20405188
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN(CCc1cn(nc1)C)C)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: CN(Cc1c(nc2n1cc(Cl)cc2)C(=O)N1C[C@H](C)O[C@@H](C1)C)CCc1cnn(c1)C
• InChI: InChI=1S/C22H29ClN6O2/c1-15-10-28(11-16(2)31-15)22(30)21-19(29-13-18(23)5-6-20(29)25-21)14-26(3)8-7-17-9-24-27(4)12-17/h5-6,9,12-13,15-16H,7-8,10-11,14H2,1-4H3/t15-,16+
• InChIKey: HRHGXOOYZKVYIR-IYBDPMFKSA-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)(methyl)[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine
• IUPAC Traditional name: ({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)(methyl)[2-(1-methylpyrazol-4-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-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.50508213
• LogD (pH = 7.4): 1.2595882
• Log P: 1.9644787
• Molar Refractivity: 133.8443 cm^3
• Polarizability: 46.026497 Å^3
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.75
• LOG S: -3.88
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 6