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

• ChemBase ID: 325272
• Molecular Formular: C19H27N7O
• Molecular Mass: 369.46398
• Monoisotopic Mass: 369.22770852
• SMILES: c12n(nc(c1)CNc1nc(C3CCCC3)ccn1)CCN(C(=O)N(C)C)C2
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)CNc1nccc(n1)C1CCCC1)N(C)C
• InChI: InChI=1S/C19H27N7O/c1-24(2)19(27)25-9-10-26-16(13-25)11-15(23-26)12-21-18-20-8-7-17(22-18)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,20,21,22)
• InChIKey: FYIKDHFPRMLAEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.016433
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2536002
• LogD (pH = 7.4): 1.265824
• Log P: 1.2659823
• Molar Refractivity: 116.2411 cm^3
• Polarizability: 39.003014 Å^3
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.46
• LOG S: -3.14
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 4