4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine

• ChemBase ID: 577991
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CCC(c2n(ccn2)CC2CCC2)CC1
• Canonical SMILES: O=C(c1cnc2n1cccc2)N1CCC(CC1)c1nccn1CC1CCC1
• InChI: InChI=1S/C21H25N5O/c27-21(18-14-23-19-6-1-2-10-26(18)19)24-11-7-17(8-12-24)20-22-9-13-25(20)15-16-4-3-5-16/h1-2,6,9-10,13-14,16-17H,3-5,7-8,11-12,15H2
• InChIKey: PYVHRLUTCIKFGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-({4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.938451
• LogD (pH = 7.4): 1.66899
• Log P: 1.7006619
• Molar Refractivity: 105.3171 cm^3
• Polarizability: 39.411797 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: 1.86
• LOG S: -3.44
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4