ethyl 2-[({imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amino)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate

• ChemBase ID: 520800
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c12n(nc(c1)CN(Cc1n3c(nc1)cccc3)C)CCN(C(=O)OCC)C2
• Canonical SMILES: CCOC(=O)N1CCn2c(C1)cc(n2)CN(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C19H24N6O2/c1-3-27-19(26)23-8-9-25-16(14-23)10-15(21-25)12-22(2)13-17-11-20-18-6-4-5-7-24(17)18/h4-7,10-11H,3,8-9,12-14H2,1-2H3
• InChIKey: HCPXCVRDDHNGOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[({imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amino)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• IUPAC Traditional name: ethyl 2-[({imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amino)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• Synonyms: ethyl 2-{[(imidazo[1,2-a]pyridin-3-ylmethyl)(methyl)amino]methyl}-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3328152
• LogD (pH = 7.4): 0.6899025
• Log P: 0.74761873
• Molar Refractivity: 114.445 cm^3
• Polarizability: 38.96498 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: 5
• H Donor: 0
• Log P: 0.66
• LOG S: -1.44
• Polar Surface Area: 67.9 Å^2
• Rotatable Bonds: 6