N,N-dimethyl-2-{[(oxan-4-yl)amino]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 747507
• Molecular Formular: C15H25N5O2
• Molecular Mass: 307.3913
• Monoisotopic Mass: 307.20082507
• SMILES: c12n(nc(c1)CNC1CCOCC1)CCN(C(=O)N(C)C)C2
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)CNC1CCOCC1)N(C)C
• InChI: InChI=1S/C15H25N5O2/c1-18(2)15(21)19-5-6-20-14(11-19)9-13(17-20)10-16-12-3-7-22-8-4-12/h9,12,16H,3-8,10-11H2,1-2H3
• InChIKey: QPMSMHCRTFZVSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-{[(oxan-4-yl)amino]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: N,N-dimethyl-2-[(oxan-4-ylamino)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: N,N-dimethyl-2-[(tetrahydro-2H-pyran-4-ylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7307978
• LogD (pH = 7.4): -2.0407877
• Log P: -0.9673134
• Molar Refractivity: 95.3552 cm^3
• Polarizability: 32.360973 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.81
• LOG S: -2.06
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 3