3-(1-butyl-1H-imidazol-2-yl)-1-{pyrazolo[1,5-a]pyrimidine-2-carbonyl}piperidine

• ChemBase ID: 762757
• Molecular Formular: C19H24N6O
• Molecular Mass: 352.43346
• Monoisotopic Mass: 352.20115942
• SMILES: c1(nn2c(c1)nccc2)C(=O)N1CC(c2n(ccn2)CCCC)CCC1
• Canonical SMILES: CCCCn1ccnc1C1CCCN(C1)C(=O)c1nn2c(c1)nccc2
• InChI: InChI=1S/C19H24N6O/c1-2-3-9-23-12-8-21-18(23)15-6-4-10-24(14-15)19(26)16-13-17-20-7-5-11-25(17)22-16/h5,7-8,11-13,15H,2-4,6,9-10,14H2,1H3
• InChIKey: BCLIDMMWFCXVEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-butyl-1H-imidazol-2-yl)-1-{pyrazolo[1,5-a]pyrimidine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-(1-butylimidazol-2-yl)-1-{pyrazolo[1,5-a]pyrimidine-2-carbonyl}piperidine
• Synonyms: 2-{[3-(1-butyl-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): 1.6468627
• LogD (pH = 7.4): 2.2856774
• Log P: 2.3145947
• Molar Refractivity: 110.0814 cm^3
• Polarizability: 37.413235 Å^3
• Polar Surface Area: 68.32 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: 0.31
• LOG S: -3.35
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 5