N-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 443487
• Molecular Formular: C19H24N6
• Molecular Mass: 336.43406
• Monoisotopic Mass: 336.2062448
• SMILES: n12c(nc(cc1NC1CCN(Cc3cnccc3)CC1)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NC1CCN(CC1)Cc1cccnc1)C
• InChI: InChI=1S/C19H24N6/c1-14-10-19(25-18(21-14)11-15(2)23-25)22-17-5-8-24(9-6-17)13-16-4-3-7-20-12-16/h3-4,7,10-12,17,22H,5-6,8-9,13H2,1-2H3
• InChIKey: LUTQEFCFPXPDJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-3-ylmethyl)piperidin-4-amine
• Synonyms: 2,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5185392
• LogD (pH = 7.4): 0.25198767
• Log P: 1.0113889
• Molar Refractivity: 110.3105 cm^3
• Polarizability: 37.586205 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.91
• LOG S: -0.98
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 4