2-(2-{[2-(dimethylamino)ethyl]carbamoyl}ethyl)-N-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 369343
• Molecular Formular: C17H30N6O2
• Molecular Mass: 350.4591
• Monoisotopic Mass: 350.24302423
• SMILES: c12n(nc(c1)CCC(=O)NCCN(C)C)CCN(C(=O)NCCC)C2
• Canonical SMILES: CCCNC(=O)N1CCn2c(C1)cc(n2)CCC(=O)NCCN(C)C
• InChI: InChI=1S/C17H30N6O2/c1-4-7-19-17(25)22-10-11-23-15(13-22)12-14(20-23)5-6-16(24)18-8-9-21(2)3/h12H,4-11,13H2,1-3H3,(H,18,24)(H,19,25)
• InChIKey: QRPBGZZREGBCRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{[2-(dimethylamino)ethyl]carbamoyl}ethyl)-N-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-(2-{[2-(dimethylamino)ethyl]carbamoyl}ethyl)-N-propyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-N-propyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8293
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.4092522
• LogD (pH = 7.4): -1.6607108
• Log P: -0.52105504
• Molar Refractivity: 108.7526 cm^3
• Polarizability: 37.28816 Å^3
• Polar Surface Area: 82.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.59
• LOG S: -2.56
• Polar Surface Area: 82.5 Å^2
• Rotatable Bonds: 8