4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-{pyrazolo[1,5-a]pyrimidine-2-carbonyl}piperidine

• ChemBase ID: 816786
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(nn2c(c1)nccc2)C(=O)N1CCC(c2n(ccn2)CC2CCC2)CC1
• Canonical SMILES: O=C(c1nn2c(c1)nccc2)N1CCC(CC1)c1nccn1CC1CCC1
• InChI: InChI=1S/C20H24N6O/c27-20(17-13-18-21-7-2-9-26(18)23-17)24-10-5-16(6-11-24)19-22-8-12-25(19)14-15-3-1-4-15/h2,7-9,12-13,15-16H,1,3-6,10-11,14H2
• InChIKey: DKZLBFMMZHCSGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-{pyrazolo[1,5-a]pyrimidine-2-carbonyl}piperidine
• IUPAC Traditional name: 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-{pyrazolo[1,5-a]pyrimidine-2-carbonyl}piperidine
• Synonyms: 2-({4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3795818
• LogD (pH = 7.4): 2.0294168
• Log P: 2.0599344
• Molar Refractivity: 112.9048 cm^3
• Polarizability: 38.528328 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: 0.13
• LOG S: -3.28
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4