N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-N,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 507424
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(CCc1nc2c([nH]1)ccc(c2)OC)C
• Canonical SMILES: COc1ccc2c(c1)nc([nH]2)CCN(C(=O)c1nn2c(c1)CN(CC2)C)C
• InChI: InChI=1S/C19H24N6O2/c1-23-8-9-25-13(12-23)10-17(22-25)19(26)24(2)7-6-18-20-15-5-4-14(27-3)11-16(15)21-18/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,21)
• InChIKey: IYDPFMNDZLGFOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-N,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-N,5-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(5-methoxy-1H-benzimidazol-2-yl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.138745
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.006543042
• LogD (pH = 7.4): 0.916023
• Log P: 0.9380608
• Molar Refractivity: 113.9251 cm^3
• Polarizability: 40.007793 Å^3
• Polar Surface Area: 79.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.66
• LOG S: -2.45
• Polar Surface Area: 79.28 Å^2
• Rotatable Bonds: 5