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

• ChemBase ID: 545259
• Molecular Formular: C16H25N5O2
• Molecular Mass: 319.402
• Monoisotopic Mass: 319.20082507
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)CN(C)C)C2
• Canonical SMILES: O=C(NC1CC1)CCc1cc2n(n1)CCN(C2)C(=O)CN(C)C
• InChI: InChI=1S/C16H25N5O2/c1-19(2)11-16(23)20-7-8-21-14(10-20)9-13(18-21)5-6-15(22)17-12-3-4-12/h9,12H,3-8,10-11H2,1-2H3,(H,17,22)
• InChIKey: SHHAADMCPYVXSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.183014
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9419882
• LogD (pH = 7.4): -1.3052474
• Log P: -0.9520975
• Molar Refractivity: 98.5277 cm^3
• Polarizability: 33.584015 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.47
• LOG S: -1.58
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6