[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl){[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

• ChemBase ID: 322135
• Molecular Formular: C21H28N6O
• Molecular Mass: 380.48662
• Monoisotopic Mass: 380.23245955
• SMILES: c1(c(n2c(n1)cccc2)CN(CCn1nc(cc1C)C)C)C(=O)N1CCCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2)C(=O)N1CCCC1)CCn1nc(cc1C)C
• InChI: InChI=1S/C21H28N6O/c1-16-14-17(2)27(23-16)13-12-24(3)15-18-20(21(28)25-9-6-7-10-25)22-19-8-4-5-11-26(18)19/h4-5,8,11,14H,6-7,9-10,12-13,15H2,1-3H3
• InChIKey: SONNSXVLVZAJRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl){[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC Traditional name: [2-(3,5-dimethylpyrazol-1-yl)ethyl](methyl){[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6173278
• LogD (pH = 7.4): 0.9744212
• Log P: 1.2710999
• Molar Refractivity: 123.131 cm^3
• Polarizability: 41.50191 Å^3
• Polar Surface Area: 58.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.43
• LOG S: -3.75
• Polar Surface Area: 58.67 Å^2
• Rotatable Bonds: 6