1-{5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-(pyridin-2-yl)piperidin-4-ol

• ChemBase ID: 611568
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N1CCC(CC1)(c1ncccc1)O
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N1CCC(CC1)(O)c1ccccn1
• InChI: InChI=1S/C18H23N5O2/c1-21-10-11-23-14(13-21)12-15(20-23)17(24)22-8-5-18(25,6-9-22)16-4-2-3-7-19-16/h2-4,7,12,25H,5-6,8-11,13H2,1H3
• InChIKey: SDYCPXMKFGFBGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-(pyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-{5-methyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-(pyridin-2-yl)piperidin-4-ol
• Synonyms: 1-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)carbonyl]-4-pyridin-2-ylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.365715
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6191718
• LogD (pH = 7.4): -0.10244139
• Log P: -0.09069911
• Molar Refractivity: 105.61 cm^3
• Polarizability: 35.868176 Å^3
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.46
• LOG S: -1.75
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 2