2-[({1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}oxy)methyl]pyridine

• ChemBase ID: 834492
• Molecular Formular: C20H25N5O
• Molecular Mass: 351.4454
• Monoisotopic Mass: 351.20591045
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)N1CCC(CC1)OCc1ncccc1
• Canonical SMILES: CC(c1cc(N2CCC(CC2)OCc2ccccn2)n2c(n1)ccn2)C
• InChI: InChI=1S/C20H25N5O/c1-15(2)18-13-20(25-19(23-18)6-10-22-25)24-11-7-17(8-12-24)26-14-16-5-3-4-9-21-16/h3-6,9-10,13,15,17H,7-8,11-12,14H2,1-2H3
• InChIKey: HOQAHNJGJLDGBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[({1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}oxy)methyl]pyridine
• IUPAC Traditional name: 2-{[(1-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)oxy]methyl}pyridine
• Synonyms: 5-isopropyl-7-[4-(2-pyridinylmethoxy)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.766473
• LogD (pH = 7.4): 2.7745545
• Log P: 2.7746584
• Molar Refractivity: 111.6574 cm^3
• Polarizability: 38.670597 Å^3
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -2.55
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 5