4-(pyridin-3-yl)-1-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-ol

• ChemBase ID: 569395
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1CCC(CC1)(c1cnccc1)O)C
• Canonical SMILES: Cc1cc(N2CCC(CC2)(O)c2cccnc2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C19H23N5O/c1-13-11-17(24-18(21-13)14(2)15(3)22-24)23-9-6-19(25,7-10-23)16-5-4-8-20-12-16/h4-5,8,11-12,25H,6-7,9-10H2,1-3H3
• InChIKey: YYKUVBLXMFCHFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-3-yl)-1-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-ol
• IUPAC Traditional name: 4-(pyridin-3-yl)-1-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-ol
• Synonyms: 4-(3-pyridinyl)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785709
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3202957
• LogD (pH = 7.4): 1.3743526
• Log P: 1.3750982
• Molar Refractivity: 107.7493 cm^3
• Polarizability: 36.596466 Å^3
• Polar Surface Area: 66.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.65
• LOG S: -3.07
• Polar Surface Area: 66.55 Å^2
• Rotatable Bonds: 2