{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)amine

• ChemBase ID: 549240
• Molecular Formular: C24H30N6O2
• Molecular Mass: 434.534
• Monoisotopic Mass: 434.24302423
• SMILES: c1(nc2n(c1CNCCc1nc3c(c(n1)C)CCC3)cccc2C)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCc1nc(C)c3c(n1)CCC3)cccc2C)N1CCOCC1
• InChI: InChI=1S/C24H30N6O2/c1-16-5-4-10-30-20(22(28-23(16)30)24(31)29-11-13-32-14-12-29)15-25-9-8-21-26-17(2)18-6-3-7-19(18)27-21/h4-5,10,25H,3,6-9,11-15H2,1-2H3
• InChIKey: MHZMYQHCZZVAJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)amine
• IUPAC Traditional name: {[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(2-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}ethyl)amine
• Synonyms: 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.0277135
• LogD (pH = 7.4): 0.7126357
• Log P: 1.7206414
• Molar Refractivity: 124.2133 cm^3
• Polarizability: 46.41249 Å^3
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.2
• LOG S: -4.51
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 6