(1R,2S,6R,7S)-4-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-azatricyclo[5.2.2.02,6]undecane

• ChemBase ID: 762327
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]1CC[C@@H]2CC1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2CC1
• InChI: InChI=1S/C19H23N3O/c1-12-3-2-8-21-11-17(20-18(12)21)19(23)22-9-15-13-4-5-14(7-6-13)16(15)10-22/h2-3,8,11,13-16H,4-7,9-10H2,1H3/t13-,14+,15-,16+
• InChIKey: PSULKNBZKDFWAC-GEEKYZPCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S,6R,7S)-4-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-azatricyclo[5.2.2.0^2,^6]undecane
• IUPAC Traditional name: (1R,2S,6R,7S)-4-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-azatricyclo[5.2.2.0^2,^6]undecane
• Synonyms: (1R*,2R*,6S*,7S*)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-azatricyclo[5.2.2.0~2,6~]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6202636
• LogD (pH = 7.4): 2.6281786
• Log P: 2.6282804
• Molar Refractivity: 90.6564 cm^3
• Polarizability: 34.119038 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.84
• LOG S: -3.88
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1