N-{[1-(morpholin-4-yl)cycloheptyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 452116
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCC1(N2CCOCC2)CCCCCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)NCC1(CCCCCC1)N1CCOCC1
• InChI: InChI=1S/C19H27N5O2/c25-17(16-14-23-9-5-8-20-18(23)22-16)21-15-19(6-3-1-2-4-7-19)24-10-12-26-13-11-24/h5,8-9,14H,1-4,6-7,10-13,15H2,(H,21,25)
• InChIKey: WKESFDOMWKTEHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(morpholin-4-yl)cycloheptyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-{[1-(morpholin-4-yl)cycloheptyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[(1-morpholin-4-ylcycloheptyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.429172
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.62341
• LogD (pH = 7.4): 0.9526261
• Log P: 1.2352135
• Molar Refractivity: 100.9911 cm^3
• Polarizability: 38.12348 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.28
• LOG S: -2.9
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4