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

• ChemBase ID: 845678
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(n2c(ccn2)ccc1)c1nc(N2CC(O)CCC2)ccn1
• Canonical SMILES: OC1CCCN(C1)c1ccnc(n1)c1cccc2n1ncc2
• InChI: InChI=1S/C16H17N5O/c22-13-4-2-10-20(11-13)15-7-8-17-16(19-15)14-5-1-3-12-6-9-18-21(12)14/h1,3,5-9,13,22H,2,4,10-11H2
• InChIKey: SXXMLLGNICFJGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.869826
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4541361
• LogD (pH = 7.4): 2.4971344
• Log P: 2.4977117
• Molar Refractivity: 106.1764 cm^3
• Polarizability: 32.671734 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: 0.79
• LOG S: -2.03
• Polar Surface Area: 66.55 Å^2
• Rotatable Bonds: 2