1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-2-(3-methoxypropyl)piperidine

• ChemBase ID: 700757
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: c1(nn2c(c1)nc(cc2C)C)C(=O)N1C(CCCOC)CCCC1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1nn2c(c1)nc(cc2C)C
• InChI: InChI=1S/C18H26N4O2/c1-13-11-14(2)22-17(19-13)12-16(20-22)18(23)21-9-5-4-7-15(21)8-6-10-24-3/h11-12,15H,4-10H2,1-3H3
• InChIKey: AMLHQDBWTOIAIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-2-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-2-(3-methoxypropyl)piperidine
• Synonyms: 2-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-5,7-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1082227
• LogD (pH = 7.4): 2.108227
• Log P: 2.108227
• Molar Refractivity: 104.3803 cm^3
• Polarizability: 35.306824 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.81
• LOG S: -2.3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5