N-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)pyrimidin-2-amine

• ChemBase ID: 324480
• Molecular Formular: C17H18N6O
• Molecular Mass: 322.36442
• Monoisotopic Mass: 322.15420923
• SMILES: c1(C(=O)N2CCC(Nc3ncccn3)CC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N1CCC(CC1)Nc1ncccn1
• InChI: InChI=1S/C17H18N6O/c24-16(13-2-3-15-18-8-11-23(15)12-13)22-9-4-14(5-10-22)21-17-19-6-1-7-20-17/h1-3,6-8,11-12,14H,4-5,9-10H2,(H,19,20,21)
• InChIKey: PGKYIDPERBACPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)pyrimidin-2-amine
• Synonyms: N-[1-(imidazo[1,2-a]pyridin-6-ylcarbonyl)piperidin-4-yl]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.167865
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.53556037
• LogD (pH = 7.4): 0.07098255
• Log P: 0.09547812
• Molar Refractivity: 93.1333 cm^3
• Polarizability: 33.561146 Å^3
• Polar Surface Area: 75.42 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 1
• Log P: 0.11
• LOG S: -2.96
• Polar Surface Area: 75.42 Å^2