N-cyclopropyl-3-{5-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 622564
• Molecular Formular: C17H23N7O2
• Molecular Mass: 357.41022
• Monoisotopic Mass: 357.19132301
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)CCn1ncnc1)C2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)CCn1cncn1
• InChI: InChI=1S/C17H23N7O2/c25-16(20-13-1-2-13)4-3-14-9-15-10-22(7-8-24(15)21-14)17(26)5-6-23-12-18-11-19-23/h9,11-13H,1-8,10H2,(H,20,25)
• InChIKey: WSEVICYWKGQWGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{5-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{5-[3-(1,2,4-triazol-1-yl)propanoyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-cyclopropyl-3-{5-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.183015
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1909589
• LogD (pH = 7.4): -1.1906716
• Log P: -1.190668
• Molar Refractivity: 117.3745 cm^3
• Polarizability: 35.788998 Å^3
• Polar Surface Area: 97.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -2.28
• LOG S: -1.17
• Polar Surface Area: 97.94 Å^2
• Rotatable Bonds: 7