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

• ChemBase ID: 367745
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: c1(C(=O)N2CC(c3n(ccn3)CC3CCC3)CCC2)c2n(nc1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCCC(C1)c1nccn1CC1CCC1
• InChI: InChI=1S/C21H25N5O/c27-21(18-13-23-26-11-2-1-8-19(18)26)25-10-4-7-17(15-25)20-22-9-12-24(20)14-16-5-3-6-16/h1-2,8-9,11-13,16-17H,3-7,10,14-15H2
• InChIKey: SBMUNDAFNCMVQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-({3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.013554
• LogD (pH = 7.4): 2.6514182
• Log P: 2.6802018
• Molar Refractivity: 115.3271 cm^3
• Polarizability: 40.073112 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -3.17
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4