N-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 622387
• Molecular Formular: C20H26N6
• Molecular Mass: 350.46064
• Monoisotopic Mass: 350.22189486
• SMILES: n12c(cc(nc1ccn2)CCC)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: CCCc1cc(NC2CCN(CC2)Cc2ccccn2)n2c(n1)ccn2
• InChI: InChI=1S/C20H26N6/c1-2-5-17-14-20(26-19(24-17)7-11-22-26)23-16-8-12-25(13-9-16)15-18-6-3-4-10-21-18/h3-4,6-7,10-11,14,16,23H,2,5,8-9,12-13,15H2,1H3
• InChIKey: DJRXHOBTZFYTMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: 5-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.3028526
• LogD (pH = 7.4): 1.8500537
• Log P: 2.106595
• Molar Refractivity: 114.4247 cm^3
• Polarizability: 39.50999 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -1.59
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 6