1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine

• ChemBase ID: 601409
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: c1(nn2c(c1)nc(cc2C)C)C(=O)N1C(CCn2c(ncc2)C)CCCC1
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)C(=O)N1CCCCC1CCn1ccnc1C
• InChI: InChI=1S/C20H26N6O/c1-14-12-15(2)26-19(22-14)13-18(23-26)20(27)25-9-5-4-6-17(25)7-10-24-11-8-21-16(24)3/h8,11-13,17H,4-7,9-10H2,1-3H3
• InChIKey: LKISKVCYKIIMRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
• Synonyms: 5,7-dimethyl-2-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6549573
• LogD (pH = 7.4): 1.4228871
• Log P: 1.6678314
• Molar Refractivity: 115.0734 cm^3
• Polarizability: 39.1015 Å^3
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.36
• LOG S: -2.18
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4