4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine dihydrochloride

• ChemBase ID: 313077
• Molecular Formular: C24H27Cl2N5O
• Molecular Mass: 472.41008
• Monoisotopic Mass: 471.15926587
• SMILES: c1(ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1)OCCN1CCCCC1.Cl.Cl
• Canonical SMILES: C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1.Cl.Cl
• InChI: InChI=1S/C24H25N5O.2ClH/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20;;/h4-11,16-18H,1-3,12-15H2;2*1H
• InChIKey: RJDVIJJQKMGPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine dihydrochloride
• IUPAC Traditional name: 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine dihydrochloride
• Synonyms: BML-275; Compound C; Dorsomorphin 2HCl

Database IDs

• CAS Number: 1219168-18-9

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.33668122
• LogD (pH = 7.4): 2.0200543
• Log P: 3.4410903
• Molar Refractivity: 128.5134 cm^3
• Polarizability: 47.837887 Å^3
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: AMPK

Product Information

• Salt Data: Dihydrochloric