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

• ChemBase ID: 646269
• Molecular Formular: C19H23FN6O
• Molecular Mass: 370.4239232
• Monoisotopic Mass: 370.19173761
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(CCc1nc2c([nH]1)ccc(c2)F)CC
• Canonical SMILES: CCN(C(=O)c1nn2c(c1)CN(CC2)C)CCc1nc2c([nH]1)ccc(c2)F
• InChI: InChI=1S/C19H23FN6O/c1-3-25(7-6-18-21-15-5-4-13(20)10-16(15)22-18)19(27)17-11-14-12-24(2)8-9-26(14)23-17/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,22)
• InChIKey: PSVZQAYBLJVVPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.882197
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8774478
• LogD (pH = 7.4): 1.5801214
• Log P: 1.5952419
• Molar Refractivity: 112.4269 cm^3
• Polarizability: 38.996403 Å^3
• Polar Surface Area: 70.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.11
• LOG S: -2.85
• Polar Surface Area: 70.05 Å^2
• Rotatable Bonds: 5