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

• ChemBase ID: 837735
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: n12c(c3ccc(C4(CCNCC4)O)cc3)cccc1ccn2
• Canonical SMILES: OC1(CCNCC1)c1ccc(cc1)c1cccc2n1ncc2
• InChI: InChI=1S/C18H19N3O/c22-18(9-12-19-13-10-18)15-6-4-14(5-7-15)17-3-1-2-16-8-11-20-21(16)17/h1-8,11,19,22H,9-10,12-13H2
• InChIKey: QYHDRFYYKUPNMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(4-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)piperidin-4-ol
• Synonyms: 4-(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.968314
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2834518
• LogD (pH = 7.4): -0.10005924
• Log P: 1.8705866
• Molar Refractivity: 97.8535 cm^3
• Polarizability: 35.586918 Å^3
• Polar Surface Area: 49.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.4
• LOG S: -2.38
• Polar Surface Area: 49.56 Å^2
• Rotatable Bonds: 2