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

• ChemBase ID: 706325
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCC(Nc2ncccc2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C19H21N5O/c1-14-5-6-18-22-16(13-24(18)12-14)19(25)23-10-7-15(8-11-23)21-17-4-2-3-9-20-17/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,20,21)
• InChIKey: HAUKSFNWYPSKSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6185829
• LogD (pH = 7.4): 1.5536723
• Log P: 1.6162592
• Molar Refractivity: 99.3488 cm^3
• Polarizability: 36.20615 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.57
• LOG S: -2.99
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3