1-cyclopropanecarbonyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)piperidine-4-carboxamide

• ChemBase ID: 513398
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c12nc(cn1cccn2)C(NC(=O)C1CCN(C(=O)C2CC2)CC1)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C19H25N5O2/c1-2-15(16-12-24-9-3-8-20-19(24)22-16)21-17(25)13-6-10-23(11-7-13)18(26)14-4-5-14/h3,8-9,12-15H,2,4-7,10-11H2,1H3,(H,21,25)
• InChIKey: CCKIVCNSERRWDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopropanecarbonyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)piperidine-4-carboxamide
• Synonyms: 1-(cyclopropylcarbonyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.452331
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.41697562
• LogD (pH = 7.4): 0.4179718
• Log P: 0.41798484
• Molar Refractivity: 98.5992 cm^3
• Polarizability: 37.326965 Å^3
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.18
• LOG S: -3.25
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 5