N,N-dimethyl-1-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidin-3-amine

• ChemBase ID: 691322
• Molecular Formular: C20H29N5O2
• Molecular Mass: 371.47656
• Monoisotopic Mass: 371.23212519
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CC(CC1)N(C)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(C1CCN(C1)Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C20H29N5O2/c1-15-5-4-7-25-17(14-23-8-6-16(13-23)22(2)3)18(21-19(15)25)20(26)24-9-11-27-12-10-24/h4-5,7,16H,6,8-14H2,1-3H3
• InChIKey: LOKHPJLUIQVXEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidin-3-amine
• IUPAC Traditional name: N,N-dimethyl-1-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidin-3-amine
• Synonyms: N,N-dimethyl-1-{[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.8396828
• LogD (pH = 7.4): -1.4965208
• Log P: 0.5665574
• Molar Refractivity: 107.5578 cm^3
• Polarizability: 40.437096 Å^3
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.87
• LOG S: -2.48
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 4