5-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 441845
• Molecular Formular: C20H25N5
• Molecular Mass: 335.446
• Monoisotopic Mass: 335.21099583
• SMILES: n12c(nc(cc1NCCN1CC(c3ccccc3)CCC1)C)ccn2
• Canonical SMILES: Cc1cc(NCCN2CCCC(C2)c2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C20H25N5/c1-16-14-20(25-19(23-16)9-10-22-25)21-11-13-24-12-5-8-18(15-24)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18,21H,5,8,11-13,15H2,1H3
• InChIKey: VNNJYCYXCZFJRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-[2-(3-phenyl-1-piperidinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4919032
• LogD (pH = 7.4): 1.0966966
• Log P: 2.7141993
• Molar Refractivity: 112.5399 cm^3
• Polarizability: 38.50062 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.72
• LOG S: -3.81
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5