3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine

• ChemBase ID: 558456
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C19H24N6O2/c1-14-16(25-9-4-6-21-19(25)22-14)18(26)24-8-3-5-15(13-24)17-20-7-10-23(17)11-12-27-2/h4,6-7,9-10,15H,3,5,8,11-13H2,1-2H3
• InChIKey: JWQRDSXUJKWBBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine
• Synonyms: 3-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-2-methylimidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.89511454
• LogD (pH = 7.4): -0.26425818
• Log P: -0.23643649
• Molar Refractivity: 103.1083 cm^3
• Polarizability: 38.072067 Å^3
• Polar Surface Area: 77.55 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: -0.02
• LOG S: -3.18
• Polar Surface Area: 77.55 Å^2
• Rotatable Bonds: 5