2-(1-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}piperidin-2-yl)pyridine

• ChemBase ID: 721930
• Molecular Formular: C17H16ClN5O
• Molecular Mass: 341.79484
• Monoisotopic Mass: 341.10433784
• SMILES: c1(nc2n(c1)cc(cn2)Cl)C(=O)N1C(c2ncccc2)CCCC1
• Canonical SMILES: Clc1cnc2n(c1)cc(n2)C(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C17H16ClN5O/c18-12-9-20-17-21-14(11-22(17)10-12)16(24)23-8-4-2-6-15(23)13-5-1-3-7-19-13/h1,3,5,7,9-11,15H,2,4,6,8H2
• InChIKey: VVFJUPWPCMLQSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}piperidin-2-yl)pyridine
• IUPAC Traditional name: 2-(1-{6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl}piperidin-2-yl)pyridine
• Synonyms: 6-chloro-2-{[2-(2-pyridinyl)-1-piperidinyl]carbonyl}imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7315087
• LogD (pH = 7.4): 1.7455945
• Log P: 1.7457774
• Molar Refractivity: 91.915 cm^3
• Polarizability: 34.34859 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.07
• LOG S: -1.31
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2