N-[2-(pyridin-3-yloxy)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 731403
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c1(nn2c(c1)CNCC2)C(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)c1nn2c(c1)CNCC2
• InChI: InChI=1S/C15H19N5O2/c1-11(22-13-3-2-4-16-10-13)8-18-15(21)14-7-12-9-17-5-6-20(12)19-14/h2-4,7,10-11,17H,5-6,8-9H2,1H3,(H,18,21)
• InChIKey: STRMGSDXZHEWKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyridin-3-yloxy)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(pyridin-3-yloxy)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(pyridin-3-yloxy)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.02847
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7659616
• LogD (pH = 7.4): -0.20746283
• Log P: 0.011049774
• Molar Refractivity: 92.5351 cm^3
• Polarizability: 31.143059 Å^3
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.17
• LOG S: -2.86
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 5