3-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one

• ChemBase ID: 476027
• Molecular Formular: C20H23N5O3
• Molecular Mass: 381.42832
• Monoisotopic Mass: 381.18008962
• SMILES: c1(c(=O)n2c(nc1)cccc2)C(=O)N1CCC(c2n(ccn2)CCOC)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)c1cnc2n(c1=O)cccc2
• InChI: InChI=1S/C20H23N5O3/c1-28-13-12-23-11-7-21-18(23)15-5-9-24(10-6-15)19(26)16-14-22-17-4-2-3-8-25(17)20(16)27/h2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3
• InChIKey: KREZQGUYFQSEIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
• IUPAC Traditional name: 3-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}pyrido[1,2-a]pyrimidin-4-one
• Synonyms: 3-({4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.4556983
• LogD (pH = 7.4): 0.18721692
• Log P: 0.21671632
• Molar Refractivity: 105.7509 cm^3
• Polarizability: 39.328766 Å^3
• Polar Surface Area: 80.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.54
• LOG S: -2.83
• Polar Surface Area: 81.73 Å^2
• Rotatable Bonds: 5