N-[3-(furan-2-yl)phenyl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine-4-carboxamide

• ChemBase ID: 323239
• Molecular Formular: C24H23N5O3
• Molecular Mass: 429.47112
• Monoisotopic Mass: 429.18008962
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CCC(C(=O)Nc2cc(c3occc3)ccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)c1c(C)nc2n1cccn2)Nc1cccc(c1)c1ccco1
• InChI: InChI=1S/C24H23N5O3/c1-16-21(29-11-4-10-25-24(29)26-16)23(31)28-12-8-17(9-13-28)22(30)27-19-6-2-5-18(15-19)20-7-3-14-32-20/h2-7,10-11,14-15,17H,8-9,12-13H2,1H3,(H,27,30)
• InChIKey: GVPCXXPVALWTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)phenyl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine-4-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)phenyl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine-4-carboxamide
• Synonyms: N-[3-(2-furyl)phenyl]-1-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.778108
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3714675
• LogD (pH = 7.4): 1.3715421
• Log P: 1.3715432
• Molar Refractivity: 122.3167 cm^3
• Polarizability: 45.94141 Å^3
• Polar Surface Area: 92.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.48
• LOG S: -6.07
• Polar Surface Area: 92.74 Å^2
• Rotatable Bonds: 4