(1-methyl-1H-imidazol-2-yl)(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidin-4-yl)methanol

• ChemBase ID: 434210
• Molecular Formular: C17H26N6O
• Molecular Mass: 330.42794
• Monoisotopic Mass: 330.21680948
• SMILES: c1(n(ccn1)C)C(C1CCN(Cc2nn3c(c2)CNCC3)CC1)O
• Canonical SMILES: OC(c1nccn1C)C1CCN(CC1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C17H26N6O/c1-21-8-5-19-17(21)16(24)13-2-6-22(7-3-13)12-14-10-15-11-18-4-9-23(15)20-14/h5,8,10,13,16,18,24H,2-4,6-7,9,11-12H2,1H3
• InChIKey: RQNYNLJSVLSLSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-imidazol-2-yl)(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidin-4-yl)methanol
• IUPAC Traditional name: (1-methylimidazol-2-yl)(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidin-4-yl)methanol
• Synonyms: (1-methyl-1H-imidazol-2-yl)[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.328708
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.2000594
• LogD (pH = 7.4): -0.94878405
• Log P: -0.3757382
• Molar Refractivity: 104.2171 cm^3
• Polarizability: 35.851738 Å^3
• Polar Surface Area: 71.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.38
• LOG S: -0.73
• Polar Surface Area: 71.14 Å^2
• Rotatable Bonds: 4